CHEMBL1829806


SMILES CC1=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC1=O
InChIKey QUMBJRZRFUYUMM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 419.1

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
TP TA2R Mouse Prostanoid A pKd 7.58 7.58 7.58 ChEMBL
TP TA2R Human Prostanoid A pKd 6.48 6.48 6.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TP TA2R Mouse Prostanoid A pIC50 8.51 8.51 8.51 ChEMBL
TP TA2R Human Prostanoid A pIC50 6.88 6.88 6.88 ChEMBL