example 494 [WO2014028479] parent molecule


SMILES CC1=NC=CC2=NC(NC3CC3)=C(N4CCC(CC5=CC=C(F)C=C5F)CC4)N=C12
InChIKey PWJURAYPJMGEQA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 409.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR6 GPR6 Human A orphans A pIC50 8.7 8.7 8.7 Guide to Pharmacology
GPR6 GPR6 Human A orphans A pIC50 8.7 8.7 8.7 ChEMBL