CHEMBL3608688


SMILES C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1
InChIKey RLKUYZTZCXMODG-MRVPVSSYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 412.1

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 Rat Tachykinin A pKi 7.07 7.07 7.07 ChEMBL
NK3 NK3R Human Tachykinin A pKi 7.96 8.03 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 8.15 8.18 8.2 ChEMBL