CHEMBL4797769


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)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
InChIKey BKBCMJYQMWAFCX-KWIWMOKLSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 15
Rotatable bonds 30
Molecular weight (Da) 1019.6

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 5.34 5.34 5.34 ChEMBL
κ OPRK Human Opioid A pKi 6.66 6.66 6.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 5.07 5.07 5.07 ChEMBL
κ OPRK Human Opioid A pIC50 6.4 6.4 6.4 ChEMBL