id stringlengths 36 36 | solution stringclasses 2 values | drug stringlengths 9 188 | problem stringlengths 59 245 |
|---|---|---|---|
da3fe171-f47e-4ada-be1d-07f08006512b | Yes | Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 | Does the specified drug exhibit hERG blocking activity? Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 |
32b9a1c3-608d-4a73-8330-364f0ddc9baf | Yes | Fc1ccc(C(OCC[NH+]2CC[NH+](CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 | Determine if the following medication inhibits hERG potassium channels. Fc1ccc(C(OCC[NH+]2CC[NH+](CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 |
c06cb085-6169-4109-8290-50c89b82c44e | Yes | O=C1NCN(c2ccccc2)C12CC[NH+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 | Does the specified drug exhibit hERG blocking activity? O=C1NCN(c2ccccc2)C12CC[NH+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 |
bd269bf2-234e-4027-a2fe-91200da1016b | Yes | Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 | Does this drug act as a hERG channel blocker? Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 |
8e8a310c-943f-45e7-bd00-09551c878481 | Yes | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc4nonc4c3)CC1)O2 | Determine if the following medication inhibits hERG potassium channels. CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc4nonc4c3)CC1)O2 |
c9c4e702-9c66-4ac6-ad21-f628bb8f8dd2 | Yes | C[NH+](CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 | Check whether the given drug blocks hERG channels. C[NH+](CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 |
fe4be18c-b2d8-4d7b-b5ea-d3fd89c1483c | Yes | CN(C)Cc1cc2cc(Cl)ccc2n1-c1ccc(F)cc1 | Does the specified drug exhibit hERG blocking activity? CN(C)Cc1cc2cc(Cl)ccc2n1-c1ccc(F)cc1 |
f9ef1514-4f93-4143-b20b-4201737b8b80 | Yes | C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O | Check whether the given drug blocks hERG channels. C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O |
d75b035e-86a0-4587-abaf-50a112f60262 | Yes | C[NH+]1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 | Is the drug in question known to block hERG channels? C[NH+]1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |
d7323f99-c285-42dc-8c92-7d9a49340270 | Yes | CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 | Check whether the given drug blocks hERG channels. CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 |
14826258-58a3-46a4-9005-adbc9bdcb7f5 | Yes | O=C1NCCN1CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 | Does the specified drug exhibit hERG blocking activity? O=C1NCCN1CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 |
0fd96d5d-27af-41cc-b656-bf1a5295e04d | Yes | Cc1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 | Determine if the following medication inhibits hERG potassium channels. Cc1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 |
cca625e9-1e9f-4f96-a123-08854bd92138 | Yes | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN([C@@H]3CCc4cc(C#N)ccc4C3)CC1)O2 | Is the drug provided capable of blocking hERG channels? CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN([C@@H]3CCc4cc(C#N)ccc4C3)CC1)O2 |
9ead2f2f-3ec3-460e-850f-83aba1bf3f00 | Yes | C[C@@H]1O[C@@H](O[C@@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@@H](O)C[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O | Does the drug listed below function as a hERG inhibitor? C[C@@H]1O[C@@H](O[C@@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@@H](O)C[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O |
6e6f937c-422a-47f8-a5ea-e7da22c6c769 | Yes | Cc1cccc(C)c1NC(=O)C[NH+]1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | Is the drug provided capable of blocking hERG channels? Cc1cccc(C)c1NC(=O)C[NH+]1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
54d3cdb6-f16e-449e-9136-0b2a62f718f0 | Yes | COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC | Verify if this drug has hERG blocking properties. COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC |
f9c2db68-d013-4e6c-b30d-e078c7efb9f7 | Yes | COc1ccc(CC[NH+](C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC | Does the drug listed below function as a hERG inhibitor? COc1ccc(CC[NH+](C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC |
b820b823-6d56-4c8c-85e0-df636e180324 | Yes | O=C1NCCN1CCN1CCC([C@@H]2CN(c3ccc(F)cc3)c3ccccc32)CC1 | Is the drug provided capable of blocking hERG channels? O=C1NCCN1CCN1CCC([C@@H]2CN(c3ccc(F)cc3)c3ccccc32)CC1 |
e4a312a4-72c9-4721-a914-86434c69c339 | Yes | N#Cc1ccc(Cn2cncc2C[NH+](CCCc2ccccc2)[C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 | Does the drug listed below function as a hERG inhibitor? N#Cc1ccc(Cn2cncc2C[NH+](CCCc2ccccc2)[C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 |
71715166-29a8-4683-8abc-10d7e5c0d882 | Yes | CCCCCCC[NH+](CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 | Is the drug in question known to block hERG channels? CCCCCCC[NH+](CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 |
d8437f6d-18d9-46ad-8293-c2b3c3263074 | Yes | Fc1ccc(Cn2c(NC3CC[NH2+]CC3)nc3ccccc32)cc1 | Is the drug in question known to block hERG channels? Fc1ccc(Cn2c(NC3CC[NH2+]CC3)nc3ccccc32)cc1 |
2f484767-0330-44a4-a448-2dbda2cb336b | Yes | O=C(CCC[NH+]1CC=C([N+]2=c3ccccc3=NC2=O)CC1)c1ccc(F)cc1 | Does the drug listed below function as a hERG inhibitor? O=C(CCC[NH+]1CC=C([N+]2=c3ccccc3=NC2=O)CC1)c1ccc(F)cc1 |
22503b50-3391-4c3f-b7c4-7831ecc08eb5 | Yes | CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 | Is this pharmaceutical compound a blocker of the hERG ion channel? CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 |
fbd7d5e3-06f4-4d26-b204-99dbe0b2230a | Yes | CCCCNCC[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 | Is the drug provided capable of blocking hERG channels? CCCCNCC[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 |
ce577555-8b6b-4138-a0f8-a4a4053362a1 | Yes | CCCCNCCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 | Does the specified drug exhibit hERG blocking activity? CCCCNCCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 |
77bdb4e1-bfee-42d3-b4ef-ccfe50b13580 | Yes | c1ccc(-c2[nH]c3ccccc3c2C2CCN(c3ccccc3)CC2)cc1 | Is this pharmaceutical compound a blocker of the hERG ion channel? c1ccc(-c2[nH]c3ccccc3c2C2CCN(c3ccccc3)CC2)cc1 |
f320a398-1f10-44a1-b119-71b2ff012a12 | Yes | O=C1NCCN1CCN1CCC(c2cn(-c3ccccc3)c3ccc(Cl)cc23)CC1 | Does the drug listed below function as a hERG inhibitor? O=C1NCCN1CCN1CCC(c2cn(-c3ccccc3)c3ccc(Cl)cc23)CC1 |
5db8200c-fa63-4005-bb97-47d2fc8a17d7 | Yes | CSc1ccc2c(c1)N(CC[C@H]1CCCC[NH+]1C)c1ccccc1S2 | Verify if this drug has hERG blocking properties. CSc1ccc2c(c1)N(CC[C@H]1CCCC[NH+]1C)c1ccccc1S2 |
bce3b3b4-7d7c-4782-8ad3-424e891a307a | Yes | O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)[nH]c3ccccc3c2=O)CC1 | Does the specified drug exhibit hERG blocking activity? O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)[nH]c3ccccc3c2=O)CC1 |
71c57194-5a36-41f3-a25e-5de1d5941928 | Yes | COc1ccc(CC[NH+](C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | Is the drug provided capable of blocking hERG channels? COc1ccc(CC[NH+](C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC |
24cf282a-a434-4fb0-ba5d-03c04039d318 | Yes | CC1=NC2=[N+](CCC[C@H]2O)C(=O)[C@@H]1CC[NH+]1CCC(c2noc3cc(F)ccc23)CC1 | Assess if the following substance is a hERG blocker. CC1=NC2=[N+](CCC[C@H]2O)C(=O)[C@@H]1CC[NH+]1CCC(c2noc3cc(F)ccc23)CC1 |
f1bf81db-5489-48f3-a073-b23bb231d31b | Yes | Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[NH+](C)CC1 | Verify if this drug has hERG blocking properties. Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[NH+](C)CC1 |
ccb5df79-d540-4f70-9f77-d0f251cbacf6 | Yes | CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N | Verify if this drug has hERG blocking properties. CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N |
4c2b1ebc-5589-40ca-a879-754aec54246e | Yes | CCCC[NH+](Cc1cncn1Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1=O | Is the drug provided capable of blocking hERG channels? CCCC[NH+](Cc1cncn1Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1=O |
6ce89258-db9b-48c0-86aa-97e8e2869028 | Yes | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | Verify if this drug has hERG blocking properties. COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 |
ac5bf3a1-11aa-4b50-b7d1-94510f28b1d7 | Yes | CC[NH+](CC)CCCN(c1ccccc1)C1Cc2ccccc2C1 | Verify if this drug has hERG blocking properties. CC[NH+](CC)CCCN(c1ccccc1)C1Cc2ccccc2C1 |
810c2005-b0ee-43e6-88d2-d0bea0c218f5 | Yes | CC[NH+](CC)CCCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 | Does the drug listed below function as a hERG inhibitor? CC[NH+](CC)CCCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 |
51c3798c-4bfb-48e0-b337-b2170699e846 | Yes | CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1.CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN([C@@H]3CCc4cc(C#N)ccc4C3)CC1)O2 | Is the drug in question known to block hERG channels? CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1.CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN([C@@H]3CCc4cc(C#N)ccc4C3)CC1)O2 |
31a9c8e4-2990-4540-8996-45227788ab64 | Yes | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | Does this drug act as a hERG channel blocker? O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 |
f0bbe376-e49c-4e7d-9f29-6abe441eb688 | Yes | CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 | Check whether the given drug blocks hERG channels. CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 |
78694e2c-940b-4ee2-8184-fcbc232078b8 | Yes | N#Cc1ccc(Cn2cncc2C[NH2+][C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 | Assess if the following substance is a hERG blocker. N#Cc1ccc(Cn2cncc2C[NH2+][C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 |
1e7c8b8f-7471-4e43-890a-9a414623806d | Yes | C[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21 | Determine if the following medication inhibits hERG potassium channels. C[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21 |
a78ef3e7-ffc9-40fd-9f30-1fa0e2a5d505 | Yes | N#Cc1ccc(Cn2cncc2C[NH+](CCC[NH3+])[C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 | Assess if the following substance is a hERG blocker. N#Cc1ccc(Cn2cncc2C[NH+](CCC[NH3+])[C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 |
71a4e841-0b6e-4516-bc69-93b3853ebae8 | Yes | N=C1N[C@H]2[C@H](COC(N)=O)NC(=N)N3CCC(O)(O)[C@]23N1 | Is this pharmaceutical compound a blocker of the hERG ion channel? N=C1N[C@H]2[C@H](COC(N)=O)NC(=N)N3CCC(O)(O)[C@]23N1 |
c9d712cc-74f1-41f2-aee5-918e838a0549 | Yes | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 | Does this drug act as a hERG channel blocker? COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 |
55caff79-6e20-4826-82f8-39219094a407 | Yes | C[NH+]1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | Is the drug provided capable of blocking hERG channels? C[NH+]1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 |
43c5be0e-bea1-4285-bb58-1e91d266ea3c | Yes | COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC | Does this drug act as a hERG channel blocker? COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC |
be8726d1-de4b-48af-be03-ff8b207e3f22 | Yes | C[C@H](Cc1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1 | Verify if this drug has hERG blocking properties. C[C@H](Cc1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1 |
64598990-5141-422d-b8f1-162252a0a5a8 | Yes | CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2C[C@@H](c3ccc4c(c3)[C@H](N)NO4)[C@@H]3C[C@H]32)CC1 | Does the drug listed below function as a hERG inhibitor? CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2C[C@@H](c3ccc4c(c3)[C@H](N)NO4)[C@@H]3C[C@H]32)CC1 |
813c1145-3fb3-4b53-a6ab-fd75af2584ec | Yes | [NH3+]CC[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 | Determine if the following medication inhibits hERG potassium channels. [NH3+]CC[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 |
798c9c5a-7961-46bb-ad08-c2f72a1105e1 | Yes | C[C@H](CN1c2ccccc2Sc2ccc(C#N)cc21)C[NH+](C)C | Assess if the following substance is a hERG blocker. C[C@H](CN1c2ccccc2Sc2ccc(C#N)cc21)C[NH+](C)C |
691734a1-3303-44ab-bb60-cb022be2501a | Yes | C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21 | Check whether the given drug blocks hERG channels. C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21 |
0abef6da-1da3-4ead-9b1f-5d533aad1ec0 | Yes | N#Cc1ccc(Cn2cncc2C[NH+](Cc2cccnc2)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 | Does the specified drug exhibit hERG blocking activity? N#Cc1ccc(Cn2cncc2C[NH+](Cc2cccnc2)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 |
9a51a204-6995-4369-b08e-cf4607327843 | Yes | CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 | Does this drug act as a hERG channel blocker? CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 |
4e86fe2b-9cff-43a6-8ca4-ad62b67c27c9 | Yes | CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1 | Does the drug listed below function as a hERG inhibitor? CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1 |
678c3013-abfa-4150-b3b8-47319c2ada21 | Yes | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | Does the specified drug exhibit hERG blocking activity? CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 |
cb9afa5e-4bc7-4db7-9bef-21f42d51d247 | Yes | CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 | Determine if the following medication inhibits hERG potassium channels. CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 |
74ccba22-07b5-4136-a844-f9537dad5f43 | Yes | CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O | Check whether the given drug blocks hERG channels. CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O |
1dc427b8-458a-4286-8328-2061de0719a4 | Yes | O=C1CCC(c2ccc(Nc3ccncc3)cc2)=NN1 | Verify if this drug has hERG blocking properties. O=C1CCC(c2ccc(Nc3ccncc3)cc2)=NN1 |
d4d276d9-f106-4464-b288-1b3524be781a | Yes | C=C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | Determine if the following medication inhibits hERG potassium channels. C=C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 |
8167a540-d9b9-4498-8f78-ecb3d209cf2d | Yes | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 | Does the specified drug exhibit hERG blocking activity? Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |
48f2b7d5-c99a-49e2-a408-d26aae1fe189 | Yes | N#Cc1ccc(Cn2cncc2C[NH+](CC[NH+]2CC[NH2+]CC2)[C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 | Is the drug provided capable of blocking hERG channels? N#Cc1ccc(Cn2cncc2C[NH+](CC[NH+]2CC[NH2+]CC2)[C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 |
d389b2aa-5a77-47c0-bbfb-289191bf1d41 | Yes | CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 | Check whether the given drug blocks hERG channels. CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 |
5460580a-e05a-4b61-a2c1-2697b16b19b6 | Yes | CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(Cc3ccsc3)CC1=O)C2 | Verify if this drug has hERG blocking properties. CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(Cc3ccsc3)CC1=O)C2 |
711299a1-c7d7-4a77-8436-3520daffb462 | Yes | CCOC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1[NH+]2C | Is the drug in question known to block hERG channels? CCOC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1[NH+]2C |
c073da23-ad71-4f11-8304-b91cae22893a | Yes | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@@H]2O | Does the drug listed below function as a hERG inhibitor? Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@@H]2O |
2a726328-dc6c-4b45-94a3-bd4c4f57b6a5 | Yes | CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl | Does the drug listed below function as a hERG inhibitor? CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl |
e2943578-e142-437d-ab74-edbb9d8c38c2 | Yes | CN(CCCN)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 | Assess if the following substance is a hERG blocker. CN(CCCN)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 |
1fb59e61-5660-4b9d-86f6-07ac3998c97b | Yes | C[NH2+]CCCN1c2ccccc2CCc2ccccc21 | Determine if the following medication inhibits hERG potassium channels. C[NH2+]CCCN1c2ccccc2CCc2ccccc21 |
6de08d96-d003-4df8-81c0-65df7c606901 | Yes | O=C1NC[C@@H](c2ccccc2)C12CCN([C@H]1CCCC[C@@H]1c1ccccc1)CC2 | Assess if the following substance is a hERG blocker. O=C1NC[C@@H](c2ccccc2)C12CCN([C@H]1CCCC[C@@H]1c1ccccc1)CC2 |
0d506dcf-6622-45c7-b752-6c2595a2453c | Yes | O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2cc(Cl)c(Cl)cc2o1 | Is the drug in question known to block hERG channels? O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2cc(Cl)c(Cl)cc2o1 |
ac0ac847-bfe9-4cdd-bc5c-8980a60a18f8 | Yes | COCC(=O)O[C@@]1(CC[NH+](C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | Verify if this drug has hERG blocking properties. COCC(=O)O[C@@]1(CC[NH+](C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |
3532b951-1d39-4ec4-8500-18de0f3fdeee | Yes | Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O | Is this pharmaceutical compound a blocker of the hERG ion channel? Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O |
2bc06984-b4e4-4e8e-8e62-620946aba457 | Yes | COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C(=O)CN(C)C)CC1 | Does the drug listed below function as a hERG inhibitor? COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C(=O)CN(C)C)CC1 |
9534fd07-94c9-480b-bbc6-f987ccd54fcd | Yes | CC(C)(C)[C@@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 | Is the drug in question known to block hERG channels? CC(C)(C)[C@@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 |
b5e18ca3-4d9e-4912-b08f-62c07512628f | Yes | Fc1ccc2c([C@@H]3C[NH2+]CC[C@H]3F)c(-c3ccsc3)[nH]c2c1 | Verify if this drug has hERG blocking properties. Fc1ccc2c([C@@H]3C[NH2+]CC[C@H]3F)c(-c3ccsc3)[nH]c2c1 |
354a7ae3-a25a-4766-aef4-812baad2e277 | Yes | C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C(C)(C)C | Does this drug act as a hERG channel blocker? C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C(C)(C)C |
deb545b7-ac15-46b8-bca0-d5d9dbb7ec20 | Yes | COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC | Check whether the given drug blocks hERG channels. COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC |
3d2d2b50-7be9-4d63-9104-5cfcfe88d2e5 | Yes | COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)[nH]c(=N)c2cc1OC | Does the drug listed below function as a hERG inhibitor? COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)[nH]c(=N)c2cc1OC |
5602baf9-c49c-4b20-8007-766c0b11c94f | Yes | Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2C[NH2+]CC[C@@H]2F)cc1 | Is the drug in question known to block hERG channels? Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2C[NH2+]CC[C@@H]2F)cc1 |
38eda8fb-9072-492f-bec3-33a5f8763cc3 | Yes | C(#Cc1cc(-c2n[nH]c3c2Cc2cc(Cn4cncn4)ccc2-3)cs1)COc1ccccc1 | Is the drug provided capable of blocking hERG channels? C(#Cc1cc(-c2n[nH]c3c2Cc2cc(Cn4cncn4)ccc2-3)cs1)COc1ccccc1 |
58861d6e-7d6b-45d7-9602-53ca28dcfb11 | Yes | CCC(=O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | Assess if the following substance is a hERG blocker. CCC(=O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 |
670955df-fb8a-4537-a4e4-8c04a8f25e51 | Yes | COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](Cc3ccccc3)CC1)C2 | Does the drug listed below function as a hERG inhibitor? COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](Cc3ccccc3)CC1)C2 |
a7bcb98b-986c-4755-8584-3898f07e5321 | Yes | O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(CN3CCC(C(F)(F)F)CC3)ccc2C1 | Does the specified drug exhibit hERG blocking activity? O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(CN3CCC(C(F)(F)F)CC3)ccc2C1 |
f2ccab7f-d069-47fa-a93e-888e6644c39d | Yes | CCOC(=O)C1=C(COCC[NH3+])NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl | Assess if the following substance is a hERG blocker. CCOC(=O)C1=C(COCC[NH3+])NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl |
61d68156-3501-4ecd-8834-8a2741ef10e9 | Yes | COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[NH+]2CCC[C@H]1C2 | Verify if this drug has hERG blocking properties. COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[NH+]2CCC[C@H]1C2 |
03ef49d8-9709-4235-b940-abbdd19ca1d2 | Yes | Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | Assess if the following substance is a hERG blocker. Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 |
72c862a0-9b59-4d6e-9c79-ce692b3c4d73 | Yes | CC(C)(CN)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1ccccc1 | Is the drug provided capable of blocking hERG channels? CC(C)(CN)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1ccccc1 |
03581b9f-c5ce-45fd-aeab-8868b066ee9b | Yes | CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 | Determine if the following medication inhibits hERG potassium channels. CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
d1238dfa-46ba-475c-b86b-70286a361cf5 | Yes | CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl | Is the drug provided capable of blocking hERG channels? CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl |
f3ae8f62-5543-4277-910b-a438571e5fa7 | Yes | CC(C)[C@@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1ccccc1 | Check whether the given drug blocks hERG channels. CC(C)[C@@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1ccccc1 |
09d11433-fa6e-40c0-a102-298386926705 | Yes | CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1 | Check whether the given drug blocks hERG channels. CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1 |
6b1e16d3-1875-45fd-8c84-e174a88df571 | Yes | CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 | Is this pharmaceutical compound a blocker of the hERG ion channel? CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 |
edde17c6-59ab-4467-bf4c-060672f80887 | Yes | O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccc(Br)cc2o1 | Is this pharmaceutical compound a blocker of the hERG ion channel? O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccc(Br)cc2o1 |
a6885756-9eff-4d24-8368-645e4aeeea83 | Yes | C1CCC2(C1)C1C[NH+](CC3CC3)CC2C[NH+](CC2CC2)C1 | Assess if the following substance is a hERG blocker. C1CCC2(C1)C1C[NH+](CC3CC3)CC2C[NH+](CC2CC2)C1 |
6fa7d07d-5139-441d-8101-49a326ca5e7f | Yes | Fc1ccc2c([C@@H]3C[NH2+]CC[C@@H]3F)c(C3=CNC=CC3)[nH]c2c1 | Check whether the given drug blocks hERG channels. Fc1ccc2c([C@@H]3C[NH2+]CC[C@@H]3F)c(C3=CNC=CC3)[nH]c2c1 |
58b89a00-c8d7-4fd9-b78e-99720d83321e | Yes | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3[C@@H](Cc3ccccc3)N1CC2 | Is the drug in question known to block hERG channels? COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3[C@@H](Cc3ccccc3)N1CC2 |
be077029-eccf-4cf5-be3e-c942c45b0e1c | Yes | O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCC[NH2+]1 | Assess if the following substance is a hERG blocker. O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCC[NH2+]1 |
f442f973-a5fd-4954-b5bb-977d6e0c5567 | Yes | COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2 | Does this drug act as a hERG channel blocker? COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2 |
fea7ea8d-3089-4364-b535-9b151f9dadae | Yes | O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 | Is the drug provided capable of blocking hERG channels? O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 |
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