CHEMBL2203704


SMILES Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey KIWPQCODGUAEAZ-IBGZPJMESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 674.2

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
NK3 NK3R Human Tachykinin A pKd 7.32 7.55 7.79 ChEMBL
NK3 NK3R Human Tachykinin A pKi 7.71 8.64 9.7 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.3 9.41 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database