20-hydroxy-LTB4   Click here for help

GtoPdb Ligand ID: 3399

Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 97.99
Molecular weight 352.22
XLogP 2.73
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OCCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O
Isomeric SMILES OCCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O
InChI InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
InChI Key PTJFJXLGRSTECQ-PSPARDEHSA-N
Natural/Endogenous Targets
Target
BLT1 receptor
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
BLT1 receptor Ligand is endogenous in the given species Hs Agonist Full agonist 8.1 pKi - 2
pKi 8.1 (Ki 7.6x10-9 M) [2]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference