CHEMBL4784791


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(N)=O
InChIKey PKQRJPBKUMUYJS-RDUCGPRXSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 18
Rotatable bonds 38
Molecular weight (Da) 1204.7

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 8.44 8.44 8.44 ChEMBL
κ OPRK Human Opioid A pKi 10.15 10.15 10.15 ChEMBL
μ OPRM Human Opioid A pKi 9.03 9.03 9.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.16 8.16 8.16 ChEMBL
κ OPRK Human Opioid A pIC50 9.88 9.88 9.88 ChEMBL
μ OPRM Human Opioid A pIC50 8.74 8.74 8.74 ChEMBL