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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14173
CHEMBL14173
Compound Name ANTHRANILIC ACID
ChEMBL Synonyms 2-Aminobenzoic Acid | Antranilic Acid | 2-Amino-Benzoic Acid
Max Phase 0
Trade Names
Molecular Formula C7H7NO2

Additional synonyms for CHEMBL14173 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccccc1C(=O)O
Standard InChI InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
Standard InChI Key RWZYAGGXGHYGMB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14173

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
137.1 137.0477 0.71 1 63.31 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.94 2.11 1.27 -1.46 1 10 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL14173. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RWZYAGGXGHYGMB-UHFFFAOYSA-N
PubChem SID: 144204646 SID: 144207901 SID: 170465552 SID: 17390039
Wikipedia Anthranilic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14173



ACToR 118-92-3 1321-11-5
BindingDB 50376751
Brenda 2263 90994 13352 474 4198 5464 50159 74338
ChEBI 30754
DrugBank DB04166
eMolecules 478088
EPA CompTox Dashboard DTXSID8020094
FDA SRS 0YS975XI6W
Human Metabolome Database HMDB0001123
IBM Patent System FACAE87FF0438DAC5D308863E639391B
KEGG Ligand C00108
Mcule MCULE-8970106555
Metabolights MTBLC30754
MolPort MolPort-000-001-105
Nikkaji J2.912B
NMRShiftDB 10008784
PDBe BE2
PubChem 227 3734162
PubChem: Thomson Pharma 15146682
SureChEMBL SCHEMBL675
ZINC ZINC000000047985

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