CHEMBL4757601


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O
InChIKey BOINVTPNMVFXLH-RDUCGPRXSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 18
Rotatable bonds 38
Molecular weight (Da) 1205.7

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 8.21 8.21 8.21 ChEMBL
κ OPRK Human Opioid A pKi 9.37 9.37 9.37 ChEMBL
μ OPRM Human Opioid A pKi 8.2 8.2 8.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.69 7.69 7.69 ChEMBL
κ OPRK Human Opioid A pIC50 9.05 9.05 9.05 ChEMBL
μ OPRM Human Opioid A pIC50 7.88 7.88 7.88 ChEMBL