CHEMBL4761246


SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey HTRPGUCLEKHUTO-NHMULKRUSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 16
Rotatable bonds 31
Molecular weight (Da) 1118.5

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 pEC50 6.1 6.1 6.1 ChEMBL
NPFF2 NPFF2 Human Neuropeptide FF/neuropeptide AF A pEC50 6.14 6.14 6.14 ChEMBL
δ OPRD Human Opioid A pEC50 6.66 6.66 6.66 ChEMBL
κ OPRK Human Opioid A pEC50 5.64 5.64 5.64 ChEMBL
μ OPRM Human Opioid A pEC50 6.77 6.77 6.77 ChEMBL