Molecule Details
InChIKeyDFPAKSUCGFBDDF-UHFFFAOYSA-N
Compound NameNicotinamide
Canonical SMILESNC(=O)c1cccnc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBLN/A
SourceTTD_MultiTarget
2D Structure
2D structure
DrugBank Annotations
DrugBank ID DB02701
Drug NameNicotinamide
CAS Number98-92-0
Groups approved investigational
ATC Codes A11HA01
DescriptionAn 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)
Target Gene Organism Category Pfam pChEMBL Type Source
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 Clinical TTD_MultiTarget TTD_MultiTarget
Q10469 MGAT2 Homo sapiens Human PF05060 Clinical TTD_MultiTarget TTD_MultiTarget
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