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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL42403
CHEMBL42403
Compound Name BORIC ACID
ChEMBL Synonyms BORIC ACID | BORACIC ACID | E284
Max Phase 4 (Approved)
Trade Names
Molecular Formula BH3O3

Additional synonyms for CHEMBL42403 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OB(O)O
Standard InChI InChI=1S/BH3O3/c2-1(3)4/h2-4H
Standard InChI Key KGBXLFKZBHKPEV-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL42403

Molecule Features

CHEMBL42403 compound icon
Drug Type:Inorganic Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
VAGINOSIS, BACTERIALD016585EFO:0003932BACTERIAL VAGINOSIS2ClinicalTrials

Clinical Data

ClinicalTrials.gov BORIC ACID
The Cochrane Collaboration BORIC ACID

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
- - - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL42403

Compound Cross References

ATC S - SENSORY ORGANS
S02 - OTOLOGICALS
S02A - ANTIINFECTIVES
S02AA - Antiinfectives
S02AA03 - boric acid

ChemSpider ChemSpider:KGBXLFKZBHKPEV-UHFFFAOYSA-N
PubChem SID: 144204555 SID: 144209383 SID: 144211317 SID: 17390008 SID: 26752774
Wikipedia Boric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL42403



ACToR 11129-12-7 10043-35-3 12258-53-6 11113-50-1
BindingDB 39817
Brenda 7163 44211 1395 166107
ChEBI 33118
DrugBank DB11326
DrugCentral 3035
eMolecules 479121
EPA CompTox Dashboard DTXSID1020194
FDA SRS R57ZHV85D4
Human Metabolome Database HMDB0035731
KEGG Ligand C12486
MolPort MolPort-003-925-997
Nikkaji J43.588K
NMRShiftDB 30001402
PDBe BO3
PubChem 7628
PubChem: Thomson Pharma 15170325
SureChEMBL SCHEMBL3736
ZINC ZINC000245189278

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