CHEMBL589973


SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIKey DKSKRBVXRDGYAS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 580.1

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
DP1 PD2R Human Prostanoid A pKi 6.83 6.83 6.83 ChEMBL
EP2 PE2R2 Human Prostanoid A pKi 4.36 4.36 4.36 ChEMBL
EP4 PE2R4 Human Prostanoid A pKi 4.36 4.36 4.36 ChEMBL
DP2 PD2R2 Human Prostanoid A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
DP2 Q56D28 Guinea pig Prostanoid A pIC50 8.52 8.52 8.52 ChEMBL
DP1 PD2R Human Prostanoid A pIC50 6.55 7.33 7.92 ChEMBL
DP2 PD2R2 Human Prostanoid A pIC50 7.68 8.16 8.52 ChEMBL
TP TA2R Human Prostanoid A pIC50 4.52 4.52 4.52 ChEMBL