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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL177880
CHEMBL177880
Compound Name PAMOIC ACID
ChEMBL Synonyms Pamoic Acid
Max Phase 0
Trade Names
Molecular Formula C23H16O6

Additional synonyms for CHEMBL177880 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O
Standard InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)2 ...
Download InChI
Standard InChI Key WLJNZVDCPSBLRP-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL177880

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
388.4 388.0947 4.4 4 115.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.68 - 6.17 2.02 4 29 0.41

Structural Alerts

There are 1 structural alerts for CHEMBL177880. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WLJNZVDCPSBLRP-UHFFFAOYSA-N
PubChem SID: 124877297 SID: 124896566 SID: 144206996 SID: 4252816 SID: 89510
Wikipedia Pamoic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL177880



ACToR 130-85-8 108626-78-4
Atlas pyrvinium pamoate
BindingDB 38549
ChEBI 50186
eMolecules 508623
EPA CompTox Dashboard DTXSID9048984
FDA SRS 7RRQ8QZ38N
Guide to Pharmacology 2920
IBM Patent System 570C94E12EBED10A5B6E2B8735AEB5B6
Mcule MCULE-5497288088
MolPort MolPort-000-563-821
Nikkaji J10.641K
NMRShiftDB 20229565
PubChem 8546 54742459
PubChem: Thomson Pharma 15474461
SureChEMBL SCHEMBL5721

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WLJNZVDCPSBLRP-UHFFFAOYSA-N spacer
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