CHEMBL472117


SMILES FC(F)(F)c1nc2c(N3CCN(CCOc4cccc5nc(C(F)(F)F)[nH]c45)CC3)cccc2[nH]1
InChIKey RAWNXBFPDHQTHO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 498.2

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
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.26 9.26 9.26 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.72 7.72 7.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GnRH1 GNRHR Rat Gonadotrophin-releasing hormone A pIC50 4.08 4.45 4.82 ChEMBL
GnRH1 GNRHR Human Gonadotrophin-releasing hormone A pIC50 5.04 5.43 5.82 ChEMBL