CHEMBL64804


SMILES CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
InChIKey XEYBRNLFEZDVAW-GKEZHNTDSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 352.2

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
EP1 PE2R1 Mouse Prostanoid A pKi 7.75 7.75 7.75 ChEMBL
EP2 PE2R2 Mouse Prostanoid A pKi 7.42 7.42 7.42 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 8.51 8.51 8.51 ChEMBL
EP3 PE2R3 Mouse Prostanoid A pKi 8.3 8.3 8.3 ChEMBL
EP4 PE2R4 Human Prostanoid A pKi 9.85 9.85 9.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP2 PE2R2 Mouse Prostanoid A pEC50 8.68 8.68 8.68 ChEMBL
IP PI2R Human Prostanoid A pEC50 6.58 6.58 6.58 ChEMBL
EP2 PE2R2 Human Prostanoid A pEC50 7.23 7.23 7.23 ChEMBL
EP4 PE2R4 Human Prostanoid A pIC50 9.42 9.42 9.42 ChEMBL
EP4 PE2R4 Human Prostanoid A pEC50 9.32 9.81 10.3 ChEMBL