CHEMBL3408731


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(C)C)C1=O
InChIKey MSVRFNSSYWFYIU-XFQWPLCWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 7
Rotatable bonds 16
Molecular weight (Da) 862.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pKi 7.46 7.46 7.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.84 7.84 7.84 ChEMBL