CHEMBL1270869


SMILES C[C@@H](OC[C@@]1(c2ccccc2)CC[C@@H](C(=O)NC2CC2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey IKROAVAVBXVDKX-HOZJOUCCSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
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 9.4 9.4 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database