CHEMBL4750644


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](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
InChIKey DFZXNMRSOUHRAB-AJUYTZQHSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 16
Rotatable bonds 32
Molecular weight (Da) 1021.6

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 5.43 5.43 5.43 ChEMBL
κ OPRK Human Opioid A pKi 7.29 7.29 7.29 ChEMBL
μ OPRM Human Opioid A pKi 5.37 5.37 5.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 5.19 5.19 5.19 ChEMBL
κ OPRK Human Opioid A pIC50 7.03 7.03 7.03 ChEMBL
μ OPRM Human Opioid A pIC50 5.02 5.02 5.02 ChEMBL