CHEMBL144011


SMILES C=CCC1CCCN(CC2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
InChIKey BCZOCLLNEUBFJV-CMXZEOLJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 14
Molecular weight (Da) 735.2

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 7.24 7.24 7.24 ChEMBL
NK1 NK1R Human Tachykinin A pKi 7.89 7.89 7.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database