BW373U86


SMILES C=CCN1C[C@H](C)N(C[C@H]1C)[C@@H](c1cccc(c1)O)c1ccc(cc1)C(=O)N(CC)CC
InChIKey LBLDMHBSVIVJPM-YZIHRLCOSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 435.3

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 9.49 9.49 9.49 Guide to Pharmacology
κ OPRK Human Opioid A pKi 6.89 6.89 6.89 Guide to Pharmacology
δ OPRD Rat Opioid A pKi 8.74 8.74 8.74 Guide to Pharmacology
μ OPRM Rat Opioid A pKi 7.82 7.82 7.82 Guide to Pharmacology
κ OPRK Rat Opioid A pKi 7.47 7.47 7.47 Guide to Pharmacology
μ OPRM Rat Opioid A pKi 7.44 7.54 7.82 ChEMBL
δ OPRD Human Opioid A pKi 9.49 9.49 9.49 ChEMBL
κ OPRK Human Opioid A pKi 5.47 6.18 6.89 ChEMBL
μ OPRM Human Opioid A pKi 6.58 6.58 6.58 ChEMBL
μ OPRM Human Opioid A pKi 6.59 6.59 6.59 Guide to Pharmacology
δ OPRD Mouse Opioid A pKi 9.04 9.04 9.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pIC50 5.63 7.41 8.01 ChEMBL
δ OPRD Human Opioid A pEC50 9.4 9.66 9.92 ChEMBL
δ OPRD Human Opioid A pIC50 9.64 9.64 9.64 ChEMBL
κ OPRK Human Opioid A pIC50 7.7 7.7 7.7 ChEMBL
μ OPRM Human Opioid A pIC50 8.68 8.68 8.68 ChEMBL
δ OPRD Mouse Opioid A pIC50 9.2 9.36 9.51 ChEMBL