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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL734
CHEMBL734
Compound Name ACETOHYDROXAMIC ACID
ChEMBL Synonyms LITHOSTAT | ACETOHYDROXAMIC ACID
Max Phase 4 (Approved)
Trade Names LITHOSTAT
Molecular Formula C2H5NO2

Additional synonyms for CHEMBL734 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NO
Standard InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
Standard InChI Key RRUDCFGSUDOHDG-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL734

Molecule Features

CHEMBL734 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial urease inhibitor Bacterial urease DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CitrullinemiaD020159Orphanet:247525Citrullinemia type I1ClinicalTrials
Ornithine Carbamoyltransferase Deficiency DiseaseD020163Orphanet:664Ornithine transcarbamylase deficiency1ClinicalTrials
Argininosuccinic AciduriaD056807Orphanet:23Argininosuccinic aciduria1ClinicalTrials

Clinical Data

ClinicalTrials.gov ACETOHYDROXAMIC ACID
The Cochrane Collaboration ACETOHYDROXAMIC ACID

Metabolites for CHEMBL734

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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
75.1 75.032 -0.49 0 49.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.26 - -.23 -.24 0 5 0.3

Structural Alerts

There are 5 structural alerts for CHEMBL734. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G04 - UROLOGICALS
G04B - UROLOGICALS
G04BX - Other urologicals
G04BX03 - acetohydroxamic acid

ChemSpider ChemSpider:RRUDCFGSUDOHDG-UHFFFAOYSA-N
DailyMed acetohydroxamic acid
PubChem SID: 144204853 SID: 170465439 SID: 26747835
Wikipedia Acetohydroxamic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL734



ACToR 546-88-3
BindingDB 50099857
Brenda 9542 3981 83689 4496 111363 124278 49881
ChEBI 49029 27777
ChemicalBook CB6395344
DrugBank DB00551
DrugCentral 58
eMolecules 474394
EPA CompTox Dashboard DTXSID7022546
FDA SRS 4RZ82L2GY5
Human Metabolome Database HMDB0014691
IBM Patent System 462043AA690F8568F78A93BD5AB43859
KEGG Ligand C06808
Mcule MCULE-2682231025
Metabolights MTBLC49029 MTBLC27777
MolPort MolPort-001-769-610 MolPort-028-751-555
Nikkaji J23.285H
PDBe HAE
PharmGKB PA164749213
PubChem 1990
PubChem: Drugs of the Future 22395295
PubChem: Thomson Pharma 15218626
SureChEMBL SCHEMBL14492
ZINC ZINC000004658603

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