CHEMBL3933704


SMILES O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
InChIKey UMQLASXGJFGXFL-IYARVYRRSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 415.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
IP PI2R Rat Prostanoid A pKi 7.29 7.29 7.29 ChEMBL
IP PI2R Human Prostanoid A pKi 8.15 8.15 8.15 ChEMBL
DP1 PD2R Human Prostanoid A pKi 5.73 5.73 5.73 ChEMBL
EP2 PE2R2 Human Prostanoid A pKi 6.24 6.24 6.24 ChEMBL
EP3 PE2R3 Human Prostanoid A pKi 6.68 6.68 6.68 ChEMBL
EP4 PE2R4 Human Prostanoid A pKi 5.92 5.92 5.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
IP PI2R Rat Prostanoid A pEC50 6.55 6.55 6.55 ChEMBL
IP PI2R Human Prostanoid A pEC50 8.06 8.32 8.57 ChEMBL
IP PI2R Human Prostanoid A pIC50 7.75 7.75 7.75 ChEMBL
DP1 PD2R Human Prostanoid A pEC50 5.56 5.56 5.56 ChEMBL