CHEMBL31344


SMILES O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12
InChIKey KNBSYZNKEAWABY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 301.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR17 GPR17 Human A orphans A pKi 5.61 5.72 5.92 ChEMBL
GPR17 GPR17 Human A orphans A pKd 5.9 5.9 5.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR17 GPR17 Mouse A orphans A pEC50 5.96 5.96 5.96 ChEMBL
GPR17 GPR17 Rat A orphans A pEC50 6.15 6.15 6.15 ChEMBL
GPR17 GPR17 Human A orphans A pEC50 6.09 6.92 8.2 ChEMBL