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GtoPdb Ligand ID: 1595

Synonyms: AY-25712 | D02753 | reductol
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 63.6
Molecular weight 218.06
XLogP 1.64
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1
Isomeric SMILES OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1
InChI InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
HCA2 receptor Hs Agonist Full agonist 5.7 – 5.9 pEC50 - 1-4
pEC50 5.7 – 5.9 [1-4]
HCA3 receptor Hs Agonist Full agonist 4.7 – 5.2 pEC50 - 1-4
pEC50 4.7 – 5.2 [1-4]
Ligand mentioned in the following text fields