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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL95308
CHEMBL95308
Compound Name 3,5-DIHYDROXYBENZOIC ACID
ChEMBL Synonyms 3,5-Dihydroxy-Benzoic Acid | 3,5-Dihydroxybenzoicacid | 3,5-Dihydroxybenzoic Acid
Max Phase 0
Trade Names
Molecular Formula C7H6O4

Additional synonyms for CHEMBL95308 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cc(O)cc(O)c1
Standard InChI InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,1 ...
Download InChI
Standard InChI Key UYEMGAFJOZZIFP-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL95308

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
154.1 154.0266 0.98 1 77.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.96 - .81 -2.23 1 11 0.56

Structural Alerts

There are no structural alerts for CHEMBL95308

Compound Cross References

ChemSpider ChemSpider:UYEMGAFJOZZIFP-UHFFFAOYSA-N
Wikipedia 3,5-Dihydroxybenzoic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL95308



ACToR 99-10-5
BindingDB 50336490
Brenda 7110
ChEBI 39912
eMolecules 502587
EPA CompTox Dashboard DTXSID8059184
FDA SRS 2WC5LMO6L1
Guide to Pharmacology 5783
Human Metabolome Database HMDB0013677
IBM Patent System B5E11D24B9A70AEB7986EFA0F24BC63F
Mcule MCULE-4631439955
Metabolights MTBLC39912
MolPort MolPort-001-759-970
Nikkaji J4.961A
NMRShiftDB 20035545
PDBe 34D
PubChem 7424
PubChem: Thomson Pharma 15462130
SureChEMBL SCHEMBL28106
ZINC ZINC000000388546

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