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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL416755
CHEMBL416755
Compound Name OXOLINIC ACID
ChEMBL Synonyms UTIBID | W 4565 | OXOLINIC ACID
Max Phase 0
Trade Names
Molecular Formula C13H11NO5

Additional synonyms for CHEMBL416755 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C=C(C(=O)O)C(=O)c2cc3OCOc3cc12
Standard InChI InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9( ...
Download InChI
Standard InChI Key KYGZCKSPAKDVKC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL416755

Molecule Features

CHEMBL416755 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 OXOLINIC ACID
The Cochrane Collaboration OXOLINIC ACID

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL416755. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL252 Endothelin receptor ET-A Homo sapiens 1.000
CHEMBL1785 Endothelin receptor ET-B Homo sapiens 0.999
CHEMBL4566 Endothelin receptor ET-A Rattus norvegicus 0.991
CHEMBL262 Glycogen synthase kinase-3 beta Homo sapiens 0.768
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.573
CHEMBL3471 Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 0.421
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.417
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.245
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.208
CHEMBL3858 Carnitine palmitoyltransferase 1A Rattus norvegicus 0.204



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3471 Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 0.999
CHEMBL252 Endothelin receptor ET-A Homo sapiens 0.999
CHEMBL1785 Endothelin receptor ET-B Homo sapiens 0.995
CHEMBL4566 Endothelin receptor ET-A