CHEMBL343447


SMILES CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(CN2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1
InChIKey QRKKPEATNBJFKO-JFXHSDHMSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 12
Molecular weight (Da) 681.2

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
NK2 NK2R Human Tachykinin A pKi 7.68 7.68 7.68 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.1 8.1 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database