Molecule Details
| InChIKey | DFPAKSUCGFBDDF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Nicotinamide |
| Canonical SMILES | NC(=O)c1cccnc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | N/A |
| Source | TTD_MultiTarget |
2D Structure
DrugBank Annotations
| DrugBank ID | DB02701 |
|---|---|
| Drug Name | Nicotinamide |
| CAS Number | 98-92-0 |
| Groups | approved investigational |
| ATC Codes | A11HA01 |
| Description | An important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and pellagra. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented thr... |
Categories: Alimentary Tract and Metabolism Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Micronutrients Nicotinic Acids Pyridines Vitamin B Complex Vitamins
Cross-references: BindingDB: 27507 ChEBI: 17154 CHEMBL1140 ChemSpider: 911 Drugs Product Database (DPD): 5015 C00153 D00036 PDB: NCA PubChem:936 PubChem:46507386 RxCUI: 7405 Therapeutic Targets Database: DAP001410 Wikipedia: Nicotinamide ZINC: ZINC000000005878
Target Activities (2)
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05181 | CYP2E1 | Cytochrome P450 2E1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | substrate | enzymes |
| P00338 | LDHA | L-lactate dehydrogenase A chain | binder | targets |
| P09874 | PARP1 | Poly [ADP-ribose] polymerase 1 | binder | targets |
| Q9NXA8 | SIRT5 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | binder | targets |
| P11439 | P11439 | Exotoxin A | product of | targets |
| Q10588 | Q10588 | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 | product of | targets |