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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL445304
CHEMBL445304
Compound Name
ChEMBL Synonyms 3-Hydroxyanthranilic Acid
Max Phase 0
Trade Names
Molecular Formula C7H7NO3

Additional synonyms for CHEMBL445304 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1c(O)cccc1C(=O)O
Standard InChI InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,1 ...
Download InChI
Standard InChI Key WJXSWCUQABXPFS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL445304

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
153.1 153.0426 0.47 1 83.55 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.08 - .93 -1.89 1 11 0.4

Structural Alerts

There are 4 structural alerts for CHEMBL445304. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WJXSWCUQABXPFS-UHFFFAOYSA-N
PubChem SID: 47193877
Wikipedia 3-Hydroxyanthranilic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL445304



ACToR 548-93-6
Brenda 152196 1369 2709
ChEBI 15793
DrugBank DB03644
eMolecules 482417
EPA CompTox Dashboard DTXSID40203290
FDA SRS 1UQB1BT4OT
Human Metabolome Database HMDB0001476
IBM Patent System EB4DF0B5119F0FE194AC58D03F662F8B
KEGG Ligand C00632
LINCS LSM-20979
Mcule MCULE-1178445402
Metabolights MTBLC15793
MolPort MolPort-001-739-603
Nikkaji J1.608J
NMRShiftDB 20037773
PDBe 3HA
PubChem 86
PubChem: Thomson Pharma 15170924
Recon 3hanthrn
SureChEMBL SCHEMBL88229
ZINC ZINC000000388292

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