CHEMBL441939


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]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
InChIKey UQHCMUXJGZRDTC-ADYVUFBVSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 13
Rotatable bonds 24
Molecular weight (Da) 1055.5

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
κ OPRK Mouse Opioid A pKi 8.52 8.52 8.52 ChEMBL
δ OPRD Human Opioid A pKi 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 9.89 9.89 9.89 ChEMBL
κ OPRK Human Opioid A pIC50 10.22 10.22 10.22 ChEMBL