CHEMBL4449491


SMILES N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
InChIKey HFQCMAZSXNBPRQ-LKKGPLLNSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 12
Rotatable bonds 30
Molecular weight (Da) 1164.6

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPFF1 NPFF1 Human Neuropeptide FF/neuropeptide AF A pIC50 6.28 6.28 6.28 ChEMBL
NPFF2 NPFF2 Human Neuropeptide FF/neuropeptide AF A pEC50 6.77 6.79 6.8 ChEMBL
NPFF2 NPFF2 Human Neuropeptide FF/neuropeptide AF A pIC50 6.28 6.28 6.28 ChEMBL
δ OPRD Human Opioid A pEC50 5.65 5.68 5.7 ChEMBL
μ OPRM Human Opioid A pEC50 5.75 5.78 5.8 ChEMBL