CHEMBL144223


SMILES CCOC(=O)C1CCCN(C2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey DIISULLEIDDLEJ-XVDWRUNBSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 13
Molecular weight (Da) 739.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.7 7.7 7.7 ChEMBL
NK1 NK1R Human Tachykinin A pKi 6.93 6.93 6.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database