ISONIAZID


Trade Names	DOW-ISONIAZID HYZYD INH ISONIAZID LANIAZID NYDRAZID RIMIFON STANOZIDE
Synonyms	Armazid Armazide Atcotibine Cedin Cotinazin Dianicotyl Dow-isoniazid Eralon Ertuban Hidrasonil Hydrazid Hyzyd Ipcazide Iscotin Isidrina Isobicina Isoniazid Isoniazidum Isonicotan Isonicotinylhydrazine Laniazid Mybasan NSC-9659 Neumandin Nicotibine Nydrazid Rimifon Stanozide Teebaconin Tisiodrazida
Status
Molecule Category	Free-form
ATC	J04AC01
UNII	V83O1VOZ8L
EPA CompTox	DTXSID8020755


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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 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

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

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).