CHEMBL179036


SMILES CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1
InChIKey CANCTKXGRVNXFP-OAHLLOKOSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 416.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6D27

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
DP1 PD2R Human Prostanoid A pKi 5.92 5.94 5.95 ChEMBL
DP2 PD2R2 Human Prostanoid A pKi 8.82 9.02 9.22 ChEMBL
TP TA2R Human Prostanoid A pKi 5.16 5.16 5.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
DP2 PD2R2 Human Prostanoid A pIC50 8.52 8.72 8.92 ChEMBL