CHEMBL4299482


SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2c(c1)CCC[C@H]2N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1
InChIKey OHXAATBRYBMJJL-HDPIZSEHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 19
Molecular weight (Da) 844.5

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
μ OPRM Rat Opioid A pKi 9.0 9.0 9.0 ChEMBL
δ OPRD Human Opioid A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pIC50 8.69 8.69 8.69 ChEMBL
δ OPRD Human Opioid A pIC50 6.47 6.47 6.47 ChEMBL
δ OPRD Mouse Opioid A pIC50 6.27 6.27 6.27 ChEMBL