Molecule Details
InChIKeyQRXWMOHMRWLFEY-UHFFFAOYSA-N
Canonical SMILESNNC(=O)c1ccncc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL8.73
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00951
Drug NameIsoniazid
CAS Number54-85-3
Groups approved investigational
ATC Codes J04AM04 J04AM01 J04AM03 J04AM02 J04AM09 J04AM06 J04AC01 J04AM05 J04AM07 J04AM08 J04AM12 J04AC51
DescriptionAntibacterial agent used primarily as a tuberculostatic. It remains the treatment of choice for tuberculosis.

Categories: Agents Causing Muscle Toxicity Agents that reduce seizure threshold Anti-Bacterial Agents Anti-Infective Agents Antiinfectives for Systemic Use Antimycobacterials Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2A6 Inhibitors Cytochrome P-450 CYP2A6 Inhibitors (strength unknown) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (strong) Cytochrome P-450 CYP2C19 Inhibitors (weak) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP2E1 Inducers Cytochrome P-450 CYP2E1 Inducers (strength unknown) Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (moderate) Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (moderate) Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs for Treatment of Tuberculosis Drugs that are Mainly Renally Excreted Fatty Acid Synthesis Inhibitors Hepatotoxic Agents Hydrazides Hydrazines Hyperglycemia-Associated Agents Hypolipidemic Agents Isonicotinic Acids Pyridines Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome
Cross-references: BindingDB: 50336507 ChEBI: 6030 CHEMBL64 ChemSpider: 3635 Drugs Product Database (DPD): 6618 C07054 D00346 PDB: NIZ PharmGKB: PA450112 PubChem:3767 PubChem:46506039 RxCUI: 6038 Therapeutic Targets Database: DAP000011 Wikipedia: Isoniazid ZINC: ZINC000000001590
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P9WNX1 folA Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) Pathogen PF00186 9.0 Ki ChEMBL;BindingDB
P9WGR1 inhA Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) Pathogen PF13561 8.5 Ki ChEMBL
DrugBank Target Actions (16)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
P05181 CYP2E1 Cytochrome P450 2E1 inducer enzymes
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P05181 CYP2E1 Cytochrome P450 2E1 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P11509 CYP2A6 Cytochrome P450 2A6 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
P9WJI5 P9WJI5 Arylamine N-acetyltransferase inhibitor enzymes
P05181 CYP2E1 Cytochrome P450 2E1 substrate enzymes
P11245 P11245 Arylamine N-acetyltransferase 2 substrate enzymes
P9WGR1 inhA Enoyl-[acyl-carrier-protein] reductase [NADH] adduct targets
P9WNX1 folA Dihydrofolate reductase binder targets
P9WIE5 P9WIE5 Catalase-peroxidase other/unknown targets