13,14-dihydro-15-keto-PGF   Click here for help

GtoPdb Ligand ID: 1901

Synonyms: Dhk-pgf2alpha
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 3
Rotatable bonds 13
Topological polar surface area 94.83
Molecular weight 354.24
XLogP 3.05
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC(=O)CCC1C(O)CC(C1CC=CCCCC(=O)O)O
Isomeric SMILES CCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O
InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19-/m1/s1
InChI Key VKTIONYPMSCHQI-XAGFEHLVSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
DP2 receptor Hs Agonist Full agonist 6.3 pKi - 1
pKi 6.3 [1]