CHEMBL373984


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3
InChIKey FYEXOHKTNZXZQH-KKEISOQISA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 732.4

Drug properties

Molecular type Small molecule
Endogenous/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 8.82 8.82 8.82 ChEMBL
κ OPRK Human Opioid A pKi 9.55 9.55 9.55 ChEMBL
μ OPRM Human Opioid A pKi 9.16 9.16 9.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.55 8.55 8.55 ChEMBL
δ OPRD Human Opioid A pIC50 8.41 8.41 8.41 ChEMBL
κ OPRK Human Opioid A pEC50 8.22 8.22 8.22 ChEMBL
μ OPRM Human Opioid A pIC50 7.01 7.01 7.01 ChEMBL
μ OPRM Human Opioid A pEC50 8.05 8.05 8.05 ChEMBL