Chembl4788431


SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey YJQSLXCSWOBYML-MCRGWJRVSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 14
Rotatable bonds 31
Molecular weight (Da) 1096.6

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPFF1 NPFF1 Human Neuropeptide FF/neuropeptide AF A pEC50 7.26 7.26 7.27 ChEMBL
NPFF2 NPFF2 Human Neuropeptide FF/neuropeptide AF A pEC50 6.59 6.59 6.59 ChEMBL
δ OPRD Human Opioid A pEC50 7.31 7.31 7.31 ChEMBL
κ OPRK Human Opioid A pEC50 6.92 6.92 6.92 ChEMBL
μ OPRM Human Opioid A pEC50 6.6 6.6 6.6 ChEMBL