CHEMBL4745148


SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)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 FJFWWJRENUZMKT-DOXZELHRSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 15
Rotatable bonds 32
Molecular weight (Da) 1111.6

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 pEC50 6.23 6.23 6.23 ChEMBL
NPFF2 NPFF2 Human Neuropeptide FF/neuropeptide AF A pEC50 6.73 6.73 6.75 ChEMBL
δ OPRD Human Opioid A pEC50 6.23 6.23 6.23 ChEMBL
κ OPRK Human Opioid A pEC50 6.25 6.25 6.25 ChEMBL
μ OPRM Human Opioid A pEC50 6.51 6.51 6.51 ChEMBL