CHEMBL213735


SMILES C[C@@H](OCC1(c2ccccc2)CC(NCc2n[nH]c(O)n2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey BHOBTAHATOPTPK-QDAZHVTCSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 514.2

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
NK1 NK1R Human Tachykinin A pKi 9.3 9.3 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database