CHEMBL216640


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=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](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
InChIKey OKJAOUBQLSWUNX-QFIUEGLPSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Rat Opioid A pKi 9.24 9.44 9.85 ChEMBL
δ OPRD Mouse Opioid A pKi 7.87 8.12 8.21 ChEMBL
κ OPRK Guinea pig Opioid A pKi 10.06 10.06 10.06 ChEMBL
μ OPRM Rat Opioid A pKi 8.72 8.73 8.73 ChEMBL
δ OPRD Human Opioid A pKi 8.49 8.51 8.54 ChEMBL
κ OPRK Human Opioid A pKi 10.0 10.12 10.23 ChEMBL
μ OPRM Human Opioid A pKi 8.12 8.21 8.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Rat Opioid A pEC50 9.41 9.41 9.41 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.59 7.59 7.59 ChEMBL
κ OPRK Guinea pig Opioid A pIC50 9.24 9.41 10.11 ChEMBL
δ OPRD Human Opioid A pIC50 7.58 7.73 8.16 ChEMBL
κ OPRK Human Opioid A pEC50 9.13 9.13 9.13 ChEMBL
κ OPRK Human Opioid A pIC50 9.81 9.81 9.81 ChEMBL