Molecule Details
| InChIKey | QRXWMOHMRWLFEY-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | NNC(=O)c1ccncc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.73 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00951 |
|---|---|
| Drug Name | Isoniazid |
| CAS Number | 54-85-3 |
| Groups | approved investigational |
| ATC Codes | J04AM04 J04AM01 J04AM03 J04AM02 J04AM09 J04AM06 J04AC01 J04AM05 J04AM07 J04AM08 J04AM12 J04AC51 |
| Description | Antibacterial 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)
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 |