ISONIAZID

Search structure
Trade Names:
Synonyms:
Status: Approved (1952)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
ATC: J04AC01
UNII: V83O1VOZ8L

Structure
InChI Key QRXWMOHMRWLFEY-UHFFFAOYSA-N
Smile NNC(=O)c1ccncc1
InChI
InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H7N3O
Molecular Weight 137.14
AlogP -0.31
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 68.01
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Enoyl-[acyl-carrier-protein] reductase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - 56000 -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2A Cytochrome P450 2A6
- - - 60000 -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- - - 10000 -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - 36000 -
Enzyme Hydrolase
- - - - 6
Enzyme Ligase
- - - - 0
Enzyme Lyase
- - - - 42
Enzyme Oxidoreductase
- 4700-5000 - 1 97-104
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 19-99

Metabolites

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Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 4 D015658 ClinicalTrials
Diabetic Foot 2 D017719 ClinicalTrials
Ulcer 2 D014456 ClinicalTrials
Tuberculosis, Multidrug-Resistant 2 D018088 ClinicalTrials
Acquired Immunodeficiency Syndrome 2 D000163 ClinicalTrials
Tuberculosis, Multidrug-Resistant 2 D018088 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
12.27
Injury, poisoning and procedural complications
10.74
Skin and subcutaneous tissue disorders
10.32
Nervous system disorders
9.45
Hepatobiliary disorders
9.2
Immune system disorders
7.3
Gastrointestinal disorders
4.85
Infections and infestations
4.32
Investigations
4.2
Blood and lymphatic system disorders
3.46
Psychiatric disorders
3.0
Musculoskeletal and connective tissue disorders
2.95
Respiratory, thoracic and mediastinal disorders
2.87
Vascular disorders
2.79
Pregnancy, puerperium and perinatal conditions
2.59
Metabolism and nutrition disorders
2.47
Cardiac disorders
2.21
Eye disorders
2.02

Cross References

Resources Reference
CAS NUMBER 54-85-3
ChEBI 6030
ChEMBL CHEMBL64
DrugBank DB00951
DrugCentral 1497
EPA CompTox DTXSID8020755
FDA SRS V83O1VOZ8L
Human Metabolome Database HMDB0015086
KEGG C07054
PDB NIZ
PharmGKB PA450112
PubChem 3767
SureChEMBL SCHEMBL228
ZINC ZINC000000001590
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