Ligand id: 3404

Name: 12S-HETE

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 57.53
Molecular weight 320.24
XLogP 6.22
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Natural/Endogenous Targets
BLT2 receptor
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
GPR31 Mm Agonist Full agonist 9.6 pEC50 - 1
pEC50 9.6 (EC50 2.8x10-10 M) [1]
BLT2 receptor Hs Agonist Partial agonist <7.5 pEC50 - 3
pEC50 <7.5 (EC50 >3x10-8 M) [3]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields