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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 SID47193877 | 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

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

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 #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
153.1 153.0426 0.47 0 1 No Yes ACID


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
2.08 - .93 -1.89 1 11 2 0.4

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



DrugBank DB03644
PDBe 3HA
KEGG Ligand C00632
ChEBI 15793
eMolecules 482417
IBM Patent System EB4DF0B5119F0FE194AC58D03F662F8B
Patent US4620850 EP0534817B1 EP0317243A2 EP1002535A1 EP0317243B1 EP0474874A1 WO2000037574A1 US4655880 US5196312 US5534374 EP0530166A2 EP0474874B1 US5264348 EP0530166A3 EP0026474A1 EP0673781A1 WO2000024395A1 EP0615998A3 US4340448
FDA SRS 1UQB1BT4OT
Human Metabolome Database HMDB01476
PubChem: Thomson Pharma 15170924
PubChem 86
Mcule MCULE-1178445402

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