CHEMBL3753711


SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2c(c1)CCC[C@H]2NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)O)c1ccccc1
InChIKey HMLKHYKRLWJQOG-JKTLKNKKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 22
Molecular weight (Da) 943.5

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 9.15 9.15 9.15 ChEMBL
δ OPRD Human Opioid A pKi 9.4 9.4 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.24 7.24 7.24 ChEMBL
μ OPRM Rat Opioid A pIC50 9.1 9.1 9.1 ChEMBL
δ OPRD Human Opioid A pIC50 8.79 8.79 8.79 ChEMBL