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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
1527 cycloguanil embonate
408 pamaquine
1810 pararosaniline embonate
Synonyms Click here for help
embonic acid
Database Links Click here for help
Specialist databases
GPCRdb Ligand pamoic acid
Other databases
BindingDB Ligand 50143426
CAS Registry No. 130-85-8 (source: Scifinder)
ChEMBL Ligand CHEMBL177880
GtoPdb PubChem SID 135650787
PubChem CID 8546
Search Google for chemical match using the InChIKey WLJNZVDCPSBLRP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WLJNZVDCPSBLRP
Search PubMed clinical trials pararosaniline embonate
Search PubMed titles pararosaniline embonate
Search PubMed titles/abstracts pararosaniline embonate
UniChem Compound Search for chemical match using the InChIKey WLJNZVDCPSBLRP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WLJNZVDCPSBLRP-UHFFFAOYSA-N
Wikipedia Pamoic_acid