CHEMBL4760958


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)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O
InChIKey MRMSWYURKRGZIH-NWBNRONCSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 21
Rotatable bonds 48
Molecular weight (Da) 1446.9

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 8.35 8.35 8.35 ChEMBL
κ OPRK Human Opioid A pKi 9.41 9.41 9.41 ChEMBL
μ OPRM Human Opioid A pKi 8.39 8.39 8.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.83 7.83 7.83 ChEMBL
κ OPRK Human Opioid A pIC50 9.1 9.1 9.1 ChEMBL
μ OPRM Human Opioid A pIC50 8.06 8.06 8.06 ChEMBL