CHEMBL1290413


SMILES C[C@@H](c1ccc(C(F)(F)F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O
InChIKey KSSMIJUMUAANAX-DZGCQCFKSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 497.1

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
FP PF2R Human Prostanoid A pKi 5.37 5.37 5.37 ChEMBL
IP PI2R Human Prostanoid A pKi 4.81 4.81 4.81 ChEMBL
DP1 PD2R Human Prostanoid A pKi 9.37 9.37 9.37 ChEMBL
EP1 PE2R1 Human Prostanoid A pKi 5.34 5.34 5.34 ChEMBL
EP2 PE2R2 Human Prostanoid A pKi 5.64 5.64 5.64 ChEMBL
EP3 PE2R3 Human Prostanoid A pKi 6.08 6.08 6.08 ChEMBL
EP4 PE2R4 Human Prostanoid A pKi 5.18 5.18 5.18 ChEMBL
TP TA2R Human Prostanoid A pKi 6.47 6.47 6.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
DP1 PD2R Human Prostanoid A pIC50 8.6 8.6 8.6 ChEMBL
TP TA2R Human Prostanoid A pIC50 4.71 4.71 4.71 ChEMBL