CHEMBL4651062


SMILES CN(C)c1cccc2c(S(=O)(=O)NCCN3C(=O)C4=C(SC[C@@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)C(=O)NCC(=O)N[C@@H](Cc5ccccc5)C(=O)NNC(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)CS4)C3=O)cccc12
InChIKey KBCSNKLJZVBEDT-NDKHYYEUSA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 13
Rotatable bonds 18
Molecular weight (Da) 1341.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 7.82 7.82 7.82 ChEMBL
μ OPRM Human Opioid A pKi 7.04 7.04 7.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.4 7.4 7.4 ChEMBL
κ OPRK Human Opioid A pEC50 6.34 6.34 6.34 ChEMBL
μ OPRM Human Opioid A pEC50 7.68 7.68 7.68 ChEMBL