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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-Dihydroxybenzoicacid | 3,5-Dihydroxybenzoic Acid | 3,5-Dihydroxy-Benzoic 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 0.8 1 77.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 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
ChemicalBook CB7743368
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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