CHEMBL3634925


SMILES C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)CC(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
InChIKey DVYBTAMPKHEDRC-GABXCANPSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 20
Rotatable bonds 33
Molecular weight (Da) 1322.7

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
μ OPRM Rat Opioid A pKi 4.94 4.94 4.94 ChEMBL
κ OPRK Rat Opioid A pKi 5.76 5.76 5.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database