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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL64
CHEMBL64
Compound Name ISONIAZID
ChEMBL Synonyms HYZYD | STANOZIDE | RIMIFON | ISONICOTINYLHYDRAZINE | NICOTIBINE | Pyridine-4-Carbohydrazide | ISONIAZID | NYDRAZID | DOW-ISONIAZID | Inh | LANIAZID
Max Phase 4 (Approved)
Trade Names HYZYD | LANIAZID | RIMIFON | STANOZIDE | Inh | NICOTIBINE | ISONIAZID | NYDRAZID | DOW-ISONIAZID
Molecular Formula C6H7N3O

Additional synonyms for CHEMBL64 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NNC(=O)c1ccncc1
Standard InChI InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
Standard InChI Key QRXWMOHMRWLFEY-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • Drugs for Neglected Diseases Initiative (DNDi)
  • Gene Expression Atlas Compounds
  • HeCaToS Compounds
  • Open TG-GATEs
  • Orange Book
  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL64

Molecule Features

CHEMBL64 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Enoyl-[acyl-carrier-protein] reductase inhibitor Enoyl-[acyl-carrier-protein] reductase PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
TuberculosisD014376Orphanet:3389Tuberculosis4ClinicalTrials
DailyMed
DailyMed
DailyMed
Acquired Immunodeficiency SyndromeD000163EFO:0000765AIDS2ClinicalTrials
Tuberculosis, Multidrug-ResistantD018088EFO:0007381multidrug-resistant tuberculosis2ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
Tuberculosis, PulmonaryD014397EFO:1000049pulmonary tuberculosis4ClinicalTrials
DailyMed
DailyMed
Diabetic FootD017719EFO:1001459diabetic foot2ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection3ClinicalTrials

Clinical Data

ClinicalTrials.gov ISONIAZID
The Cochrane Collaboration ISONIAZID

Metabolites for CHEMBL64

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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
137.1 137.0589 -0.31 1 68.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.4 3.79 -.77 -.77 1 10 0.32

Structural Alerts

There are 6 structural alerts for CHEMBL64. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J04 - ANTIMYCOBACTERIALS
J04A - DRUGS FOR TREATMENT OF TUBERCULOSIS
J04AC - Hydrazides
J04AC51 - isoniazid, combinations

J - ANTIINFECTIVES FOR SYSTEMIC USE
J04 - ANTIMYCOBACTERIALS
J04A - DRUGS FOR TREATMENT OF TUBERCULOSIS
J04AC - Hydrazides
J04AC01 - isoniazid

ChemSpider ChemSpider:QRXWMOHMRWLFEY-UHFFFAOYSA-N
DailyMed isoniazid
PubChem SID: 11112128 SID: 121269825 SID: 124881930 SID: 124881932 SID: 124881933 SID: 144207189 SID: 144208565 SID: 144210513 SID: 170466877 SID: 17389848 SID: 26746988 SID: 26751504 SID: 49718175 SID: 855769
Wikipedia Isoniazid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL64



ACToR 54-85-3 37271-10-6
Atlas isoniazid
BindingDB 50336507
Brenda 44273 10677 10678 208021 51707 93730 93732 851 2409 93729
ChEBI 6030
ChemicalBook CB5102053
DrugBank DB00951
DrugCentral 1497
eMolecules 523728
EPA CompTox Dashboard DTXSID8020755
FDA SRS V83O1VOZ8L
Human Metabolome Database HMDB0015086
IBM Patent System 76533164E92B211A8AB4AE0DD7BE1CF7
KEGG Ligand C07054
LINCS LSM-6682 LSM-46042
Mcule MCULE-6324947959
MolPort MolPort-000-141-557
NIH Clinical Collection SAM002554904
Nikkaji J1.371D
NMRShiftDB 20097187
PDBe NIZ
PharmGKB PA450112
PubChem 3767
PubChem: Drugs of the Future 92309394
PubChem: Thomson Pharma 15321438
Selleck Isoniazid(Tubizid)
SureChEMBL SCHEMBL228
ZINC ZINC000000001590

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