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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1483877
CHEMBL1483877
Compound Name ETHENZAMIDE
ChEMBL Synonyms ETENZAMIDE | ETHENZAMIDE
Max Phase 0
Trade Names
Molecular Formula C9H11NO2

Additional synonyms for CHEMBL1483877 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccccc1C(=O)N
Standard InChI InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H ...
Download InChI
Standard InChI Key SBNKFTQSBPKMBZ-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


CHEMBL1483877

Molecule Features

CHEMBL1483877 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PainD010146EFO:0003843pain0ATC
ATC
ATC
FeverD005334HP:0001945fever0ATC
ATC
ATC

Clinical Data

ClinicalTrials.gov ETHENZAMIDE
The Cochrane Collaboration ETHENZAMIDE

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 CHEMBL1483877. 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
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.527
CHEMBL4722 Serine/threonine-protein kinase Aurora-A Homo sapiens 0.439
CHEMBL4501 Ribosomal protein S6 kinase 1 Homo sapiens 0.381
CHEMBL2185 Serine/threonine-protein kinase Aurora-B Homo sapiens 0.269
CHEMBL3024 Serine/threonine-protein kinase PLK1 Homo sapiens 0.249

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.496
CHEMBL4722 Serine/threonine-protein kinase Aurora-A Homo sapiens 0.297
CHEMBL3024 Serine/threonine-protein kinase PLK1 Homo sapiens 0.289
CHEMBL3880 Heat shock protein HSP 90-alpha Homo sapiens 0.255
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.219
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.217

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
165.2 165.079 1.18 3 52.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .96 .96 1 12 0.73

Structural Alerts

There are no structural alerts for CHEMBL1483877

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02B - OTHER ANALGESICS AND ANTIPYRETICS
N02BA - Salicylic acid and derivatives
N02BA77 - ethenzamide, combinations with psycholeptics

N - NERVOUS SYSTEM
N02 - ANALGESICS
N02B - OTHER ANALGESICS AND ANTIPYRETICS
N02BA - Salicylic acid and derivatives
N02BA57 - ethenzamide, combinations excl. psycholeptics

N - NERVOUS SYSTEM
N02 - ANALGESICS
N02B - OTHER ANALGESICS AND ANTIPYRETICS
N02BA - Salicylic acid and derivatives
N02BA07 - ethenzamide

ChemSpider ChemSpider:SBNKFTQSBPKMBZ-UHFFFAOYSA-N
PubChem SID: 144204707 SID: 144207223 SID: 170465775 SID: 17389894 SID: 87334323

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1483877



ACToR 938-73-8
ChEBI 31564
ChemicalBook CB5689369
DrugCentral 1080
eMolecules 538041
EPA CompTox Dashboard DTXSID4020581
FDA SRS L929ZCK4BF
IBM Patent System 22D7E9ACAE8002C4404EA55EE265831B
Mcule MCULE-4151494884
MolPort MolPort-001-526-766
Nikkaji J3.352I
NMRShiftDB 89558
PubChem 3282
PubChem: Thomson Pharma 15147078
SureChEMBL SCHEMBL25624
ZINC ZINC000000001384

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