CHEMBL1084436


SMILES CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@@H](O)C[C@H]2CO)cc1-c1ccccc1Cl
InChIKey CJTUMEIDUUCTSL-PMACEKPBSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 615.2

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
NK3 NK3R Human Tachykinin A pKi 8.83 8.83 8.83 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.29 9.29 9.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database