ISONIAZID

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J04AC01
UNII V83O1VOZ8L
EPA CompTox DTXSID8020755

Structure

InChI Key QRXWMOHMRWLFEY-UHFFFAOYSA-N
Smiles 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

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Enoyl-[acyl-carrier-protein] reductase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 5.8
Enzyme Ligase
- - - - 0
Enzyme Lyase
- - - - 42
Enzyme Oxidoreductase
- - - 1 61-104
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 18.7-98.94
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 88.4-98.94
Electrophorus electricus
- - - - 5.8
Homo sapiens
- - - - 18.7-61
Mus musculus
- - - - 12.16-104
Mycobacterium bovis BCG
- - - - 100
Mycobacterium leprae
- - - - 29
Mycobacterium smegmatis
- - - - 0
Mycobacterium tuberculosis
- 100-650 - 1 0-100
Mycobacterium tuberculosis H37Ra
- - - - 10-100
Mycobacterium tuberculosis H37Rv
130-190 40-330 - - 0-100
Mycobacterium tuberculosis variant bovis BCG
- - - - 100
Rattus norvegicus
- - - - -39-99

Cross References

Resources Reference
ChEBI 6030
ChEMBL CHEMBL64
DrugBank DB00951
DrugCentral 1497
FDA SRS V83O1VOZ8L
Human Metabolome Database HMDB0015086
KEGG C07054
PDB NIZ
PharmGKB PA450112
PubChem 3767
SureChEMBL SCHEMBL228
ZINC ZINC000000001590
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