CHEMBL1766207


SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1
InChIKey NOIBJKOGTIRXOG-CDKLIATISA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 10
Rotatable bonds 29
Molecular weight (Da) 1142.6

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 9.82 9.82 9.82 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.02 9.02 9.02 ChEMBL
μ OPRM Rat Opioid A pKi 9.47 9.47 9.47 ChEMBL
NK1 NK1R Rat Tachykinin A pKi 6.5 6.5 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 9.22 9.23 9.24 ChEMBL
δ OPRD Human Opioid A pIC50 9.5 9.5 9.5 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 8.7 8.7 8.7 ChEMBL
δ OPRD Mouse Opioid A pIC50 8.06 8.06 8.06 ChEMBL
μ OPRM Rat Opioid A pEC50 9.02 9.08 9.14 ChEMBL
μ OPRM Rat Opioid A pIC50 9.2 9.2 9.2 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 6.05 6.05 6.05 ChEMBL