PGE2


SMILES CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
InChIKey XEYBRNLFEZDVAW-ARSRFYASSA-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
Endogenous/Surrogate Endogenous
Approved drug Yes

Database connections

Structure pdb 7CX2 7D7M 6AK3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pKi 9.1 9.65 10.2 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 9.3 9.55 9.8 Guide to Pharmacology
CB1 CNR1 Rat Cannabinoid A pKi 8.56 9.12 9.64 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 7.75 9.07 9.82 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 7.73 8.89 10.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 7.59 7.59 7.59 Guide to Pharmacology
CB1 CNR1 Rat Cannabinoid A pEC50 8.3 8.3 8.3 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 8.39 8.65 9.2 ChEMBL
CB1 CNR1 Human Cannabinoid A pEC50 7.4 8.31 9.22 ChEMBL