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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1235482
CHEMBL1235482
Compound Name GLUTARAL
ChEMBL Synonyms GLUTARAL | Glutaraldehyde | SONACIDE
Max Phase 0
Trade Names
Molecular Formula C5H8O2

Additional synonyms for CHEMBL1235482 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=CCCCC=O
Standard InChI InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
Standard InChI Key SXRSQZLOMIGNAQ-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1235482

Molecule Features

CHEMBL1235482 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov GLUTARAL
The Cochrane Collaboration GLUTARAL

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
100.1 100.0524 0.55 4 34.14 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.26 -.26 0 7 0.38

Structural Alerts

There are 8 structural alerts for CHEMBL1235482. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SXRSQZLOMIGNAQ-UHFFFAOYSA-N
PubChem SID: 144204634 SID: 144208940 SID: 144213612 SID: 17388988

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1235482



ACToR 29257-65-6 107950-89-0 111-30-8
Brenda 11299 104191 1142 30037
ChEBI 64276
ChemicalBook CB3762723
DrugBank DB03266
DrugCentral 3267
eMolecules 499463
EPA CompTox Dashboard DTXSID6025355
FDA SRS T3C89M417N
Human Metabolome Database HMDB0029599
IBM Patent System 4A4449516100D54B61C5E4435553EB11
KEGG Ligand C12518
Mcule MCULE-6802048757
MolPort MolPort-001-781-859
Nikkaji J2.454F
PDBe PTD
PubChem 3485
PubChem: Thomson Pharma 15321115
SureChEMBL SCHEMBL836
ZINC ZINC000001729593

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