pamoic acid   Click here for help

GtoPdb Ligand ID: 2920

Synonyms: embonic acid
PDB Ligand
Compound class: Synthetic organic
Comment: Many salts and esters or pamoates are commecially available and are often used in bio-assays in place of pamoic acid.

Although not an approved drug itself, pamoic acid is a component of the INN-assigned compounds listed above.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 115.06
Molecular weight 388.09
XLogP 5.58
No. Lipinski's rules broken 1
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Canonical SMILES OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O
Isomeric SMILES OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O
InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GPR35 Hs Agonist Agonist 7.3 pEC50 - 3
pEC50 7.3 [3]
GPR35 Rn Agonist Agonist 3.0 – 5.0 pEC50 - 3
pEC50 3.0 – 5.0 [3]
Targets where the ligand is described in the comment field
Target Comment