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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL86795
CHEMBL86795
Compound Name INDAZOLE
ChEMBL Synonyms 1H-Indazole
Max Phase 0
Trade Names
Molecular Formula C7H6N2

Additional synonyms for CHEMBL86795 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2[nH]ncc2c1
Standard InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
Standard InChI Key BAXOFTOLAUCFNW-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL86795

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
118.1 118.0531 1.56 0 28.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.26 1.77 1.77 2 9 0.56

Structural Alerts

There are no structural alerts for CHEMBL86795

Compound Cross References

ChemSpider ChemSpider:BAXOFTOLAUCFNW-UHFFFAOYSA-N
Wikipedia Indazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL86795



ACToR 271-44-3
BindingDB 24627
Brenda 74597
ChEBI 36670 36669
eMolecules 539596
EPA CompTox Dashboard DTXSID4075374
FDA SRS 7C4VQE5C03
IBM Patent System 300B38C5FE244AFA79349589DCC78849 B0FC2DDE746574FA97335A9189526DE5 7C80952B210C2206FF892F988B79305E 5773D4D729A5664A2E458C0D816E3A32 8326141C376F72215661DCA93FAD86B1
Mcule MCULE-6962938625
MolPort MolPort-000-525-630
Nikkaji J707.642H J53.721G
NMRShiftDB 10016242
PDBe LZ1
PubChem 9221
PubChem: Thomson Pharma 15297114
SureChEMBL SCHEMBL6295
ZINC ZINC000016052862

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