TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T47768 Opioid receptor mu D07TQN Asimadoline Phase 3 179340 C27H30N2O2 414.5 CN([C@H](CN1CC[C@@H](C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 EC50 = 60000 nM Poor binder T47768 Opioid receptor mu D02DLG PMID28870136-Compound-38 Patented 1329 C16H24N4O2 304.39 CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3 Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu B0NT3B N-(2-Methoxyethyl)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine Investigative 44590514 C17H21NOS 287.4 COCCNC1C(CCC2=CC=CC=C12)C3=CSC=C3 EC50 ~ 90000 nM Poor binder T47768 Opioid receptor mu B0QUJ2 (2S)-2-[[(2R)-2-Acetamido-3-(6-chloro-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide Investigative 118709355 C24H26ClN5O4 483.9 CC(=O)N[C@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu B18GPB Tyr-Gly-Pro-Phe-Leu-Nle-Arg-NH2 Investigative 11051174 C43H65N11O8 864 CCCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu B1N0IA 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one Investigative 1878753 C10H14N2O 178.23 CC1=C2C(=NN1)CC(CC2=O)(C)C EC50 ~ 100000 nM Poor binder T47768 Opioid receptor mu B26CVM 4-Methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide Investigative 743974 C16H19NO3S 305.4 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OC)C EC50 ~ 100000 nM Poor binder T47768 Opioid receptor mu B38OEG 3-Chloro-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]thiophene-2-carboxamide Investigative 44590629 C28H30ClN3O2S 508.1 COCCN(C1C(C=CC2=CC=CC=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)C5=C(C=CS5)Cl EC50 ~ 90000 nM Poor binder T47768 Opioid receptor mu B3MA5Y 4-N-[2-(1H-Indol-3-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;dihydrochloride Investigative 69337698 C24H33Cl2N3 434.4 CN(C)C1(CCC(CC1)NCCC2=CNC3=CC=CC=C32)C4=CC=CC=C4.Cl.Cl EC50 = 51000 nM Poor binder T47768 Opioid receptor mu B5T7CE (2S)-2-[[(2S)-2-Acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide Investigative 71457207 C24H27N5O4 449.5 CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N Ki = 74000 nM Poor binder T47768 Opioid receptor mu B67YHI 6-Chloro-3-(4-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)quinoline Investigative 24894134 C22H17Cl2FN4O 443.3 C1CN(CCC1C2=NC(=NO2)C3=C(C=C(C=C3)F)Cl)C4=CN=C5C=CC(=CC5=C4)Cl IC50 ~ 50000 nM Poor binder T47768 Opioid receptor mu B6BW7V (2S)-2-[[(2R)-2-Acetamido-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide Investigative 118709352 C24H26FN5O4 467.5 CC(=O)N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu B7IL4O 3,4-Dichloro-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]benzamide Investigative 44590554 C30H31Cl2N3O2 536.5 COCCN(C1C(C=CC2=CC=CC=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)C5=CC(=C(C=C5)Cl)Cl EC50 ~ 90000 nM Poor binder T47768 Opioid receptor mu B90WYC Chembl4176316 Investigative 145974323 C18H27N3O2 317.4 C[C@@H](C1=CC=CC=C1)NC(C)(C)CN(C)C(=O)C2(CC2)C(=O)N Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu B95TAP (2S)-2-[[(2R)-2-Acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide Investigative 15923664 C22H24N4O3 392.5 CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N IC50 ~ 100000 nM Poor binder T47768 Opioid receptor mu B9E5FS 2-(4-Chlorophenoxy)-N-[2-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(2-methoxyethyl)acetamide Investigative 44590631 C25H33ClN2O5 477 CN(C)C1CCC2=CC(=C(C=C2C1N(CCOC)C(=O)COC3=CC=C(C=C3)Cl)OC)OC EC50 ~ 90000 nM Poor binder T47768 Opioid receptor mu B9OCU1 (7S,12Bs)-9-methoxy-7-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline Investigative 124037302 C31H47NO9 577.7 CN1CC[C@]23C4C1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)OCCOCCOCCOCCOCCOCCOC EC50 = 97381 nM Poor binder T47768 Opioid receptor mu BAKL20 (2S)-2-[[(2R)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanamide;2,2,2-trifluoroacetic acid Investigative 71455428 C19H22F3N5O5 457.4 CC(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N.C(=O)(C(F)(F)F)O Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BBM9D3 2-(4-Chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide Investigative 44590582 C31H34ClN3O2 516.1 COCCN(C1C(C=CC2=CC=CC=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)CC5=CC=C(C=C5)Cl EC50 ~ 90000 nM Poor binder T47768 Opioid receptor mu BBT7P3 N-(2-Methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]furan-2-carboxamide Investigative 44590553 C28H31N3O3 457.6 COCCN(C1C(C=CC2=CC=CC=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)C5=CC=CO5 EC50 ~ 90000 nM Poor binder T47768 Opioid receptor mu BC04VF 2-(4-Ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide Investigative 10224082 C25H34N4O2 422.6 CCN(CC)C(=O)C1=CC2=C(C=C1)N(C(=N2)NC3=CC=C(C=C3)OCC)CCC(C)C Ki = 50118.72 nM Poor binder T47768 Opioid receptor mu BCJ87O 1-(3-Chlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one Investigative 22733016 C16H17ClN2O 288.77 CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=CC=C3)Cl EC50 ~ 100000 nM Poor binder T47768 Opioid receptor mu BD6OC8 (2R)-2-Acetamido-6-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]hexanamide;2,2,2-trifluoroacetic acid Investigative 71453703 C21H30F3N5O6 505.5 CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N.C(=O)(C(F)(F)F)O Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BD8B5V (2R)-2-Acetamido-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid Investigative 71453705 C21H30F3N7O6 533.5 CC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N.C(=O)(C(F)(F)F)O Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BE6H3S 8-(Diphenylmethyl)-1-phenyl-3-(prop-2-en-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one Investigative 25190579 C29H31N3O 437.6 C=CCN1CN(C2(C1=O)CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5 Ki = 63020 nM Poor binder T47768 Opioid receptor mu BE7LF0 3-Oxo-4-[1-(1-propylcyclooctyl)piperidin-4-yl]quinoxaline-2-carboxylic acid Investigative 59451016 C25H35N3O3 425.6 CCCC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C(C3=O)C(=O)O Ki = 57791 nM Poor binder T47768 Opioid receptor mu BE92FR N-(2-Methoxyethyl)-2-phenylmethoxy-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide Investigative 44590580 C32H37N3O3 511.7 COCCN(C1C(C=CC2=CC=CC=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)COCC5=CC=CC=C5 EC50 ~ 90000 nM Poor binder T47768 Opioid receptor mu BEC0H7 3,6,6-Trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one Investigative 2912831 C16H18N2O 254.33 CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=CC=C3 EC50 ~ 100000 nM Poor binder T47768 Opioid receptor mu BF2V0J (2R)-2-Acetamido-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid Investigative 71450062 C19H27F3N6O5 476.5 CC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N.C(=O)(C(F)(F)F)O Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BG32SN 3-[(7R)-7-(Cyclopropylmethylamino)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol Investigative 90656090 C28H38N2O 418.6 CC1CN(C2C[C@@H](CC1(C2)C3=CC(=CC=C3)O)NCC4CC4)CCCC5=CC=CC=C5 EC50 = 130000 nM Poor binder T47768 Opioid receptor mu BG7H8I Zilmax Investigative 25257237 C14H20ClN3O2 297.78 CC(C)N[C@H]1CCN2C3=C([C@@H]1O)C=CC=C3NC2=O.Cl IC50 = 140000 nM Poor binder T47768 Opioid receptor mu BJ9W2L N-(2-Methoxyethyl)-2-(3-methoxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide Investigative 44590581 C32H37N3O3 511.7 COCCN(C1C(C=CC2=CC=CC=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)CC5=CC(=CC=C5)OC EC50 ~ 90000 nM Poor binder T47768 Opioid receptor mu BMFG07 4-Chloro-N-[3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide Investigative 118725857 C19H20ClN5O 369.8 C1CCN(C1)CCN2C3=C(C=CC=N3)N=C2NC(=O)C4=CC=C(C=C4)Cl EC50 = 52500 nM Poor binder T47768 Opioid receptor mu BN0HI2 (2S)-2-[[(2R)-2-Acetamido-3-(7-methyl-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide Investigative 118709351 C25H29N5O4 463.5 CC1=C2C(=CC=C1)C(=CN2)C[C@H](C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N)NC(=O)C Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BN98IW (2S)-2-[[(2R)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid Investigative 71459066 C21H25F3N6O6 514.5 CC(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N.C(=O)(C(F)(F)F)O Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BNUX51 Zilpaterol hydrochloride Investigative 11507658 C14H20ClN3O2 297.78 CC(C)N[C@@H]1CCN2C3=C([C@H]1O)C=CC=C3NC2=O.Cl Ki = 130000 nM Poor binder T47768 Opioid receptor mu BP0UO5 Methyl 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylacetate Investigative 44426818 C20H23NO3 325.4 COC(=O)C(C1=CC=CC=C1)N2CCC(CC2)(C3=CC=CC=C3)O Ki = 59810 nM Poor binder T47768 Opioid receptor mu BRF8H5 3,4-Dichloro-N-[2-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(2-methoxyethyl)benzamide Investigative 44590632 C24H30Cl2N2O4 481.4 CN(C)C1CCC2=CC(=C(C=C2C1N(CCOC)C(=O)C3=CC(=C(C=C3)Cl)Cl)OC)OC EC50 ~ 90000 nM Poor binder T47768 Opioid receptor mu BTD5M6 Chembl4164452 Investigative 145958562 C33H34N6O7 626.7 C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N4C(=O)[C@H](OC4=O)CNC(=O)[C@H](CC5=CC=C(C=C5)O)N Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BTI67C (2R)-2-Acetamido-6-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide;2,2,2-trifluoroacetic acid Investigative 71457208 C19H27F3N4O5 448.4 CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N.C(=O)(C(F)(F)F)O Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BTP5U2 (2S)-2-[[(2R)-2-Acetamido-3-(5-chloro-2-methyl-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide Investigative 118709359 C25H28ClN5O4 498 CC1=C(C2=C(N1)C=CC(=C2)Cl)C[C@H](C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N)NC(=O)C Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BVA37O Chembl4172330 Investigative 145950961 C33H34N6O7 626.7 C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N4C(=O)[C@@H](OC4=O)CNC(=O)[C@H](CC5=CC=C(C=C5)O)N Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BWM0A3 2-(4-Chlorophenyl)-N-[2-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(2-methoxyethyl)acetamide Investigative 44590677 C25H33ClN2O4 461 CN(C)C1CCC2=CC(=C(C=C2C1N(CCOC)C(=O)CC3=CC=C(C=C3)Cl)OC)OC EC50 ~ 90000 nM Poor binder T47768 Opioid receptor mu BX14NC Chembl4172964 Investigative 72153748 C16H19ClFN5 335.81 C1CN(CCC1NC2=CC(=NC(=N2)N)Cl)CC3=CC=CC=C3F Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BXOC42 Chembl4159127 Investigative 145957352 C33H34N6O7 626.7 C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N4C(=O)[C@@H](OC4=O)CNC(=O)[C@H](CC5=CC=C(C=C5)O)N Ki ~ 100000 nM Poor binder T47768 Opioid receptor mu BXQ75O N-[1-(2-Pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1,3-benzothiazole-2-carboxamide Investigative 118725849 C21H21N5OS 391.5 C1CCN(C1)CCN2C3=CC=CC=C3N=C2NC(=O)C4=NC5=CC=CC=C5S4 EC50 = 100000 nM Poor binder T47768 Opioid receptor mu BYX28E 5-Methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide Investigative 118725843 C20H23N5O 349.4 CC1=CN=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2CCN4CCCC4 EC50 = 100000 nM Poor binder T47768 Opioid receptor mu BZQE17 [(2R,3R)-Tmt1]dpdpe Investigative 44356081 C33H47N5O7S2 689.9 CC1=CC(=CC(=C1[C@@H](C)[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](C(=O)O)C(C)(C)S)C(C)(C)S)N)C)O IC50 = 77000 nM Poor binder