compound 1 [PMID: 37741852]


SMILES CCOC1=CC(C)=NC(=N1)N(CCOC)S(=O)(=O)C2=CC=C(NCC3=C(F)C=NC=C3F)N=C2OC
InChIKey APXQLSSVLHYGGM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 524.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 8TB7

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
GPR61 GPR61 Human A orphans A pIC50 8.0 8.0 8.0 Guide to Pharmacology