CHEMBL412325


SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N(C)C(=O)[C@H](CCCN=C(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
InChIKey JENWDDCMEATQSR-NGXVWMITSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 13
Rotatable bonds 33
Molecular weight (Da) 1035.6

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 7.57 7.57 7.57 ChEMBL
κ OPRK Mouse Opioid A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.13 8.13 8.13 ChEMBL
κ OPRK Human Opioid A pIC50 8.59 8.59 8.59 ChEMBL