NCA

NICOTINAMIDE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count0
Bond Count15
Aromatic Bond Count6
2D diagram of NCA

Chemical Component Summary

NameNICOTINAMIDE
Systematic Name (OpenEye OEToolkits)pyridine-3-carboxamide
FormulaC6 H6 N2 O
Molecular Weight122.125
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(N)c1cccnc1
SMILESCACTVS3.341NC(=O)c1cccnc1
SMILESOpenEye OEToolkits1.5.0c1cc(cnc1)C(=O)N
Canonical SMILESCACTVS3.341 NC(=O)c1cccnc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(cnc1)C(=O)N
InChIInChI1.03 InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKeyInChI1.03 DFPAKSUCGFBDDF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02701 
NameNicotinamide
Groups
  • approved
  • investigational
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 through dietary intake.
Synonyms
  • Nicotinic amide
  • 3-pyridinecarboxamide
  • Nicotinamide
  • β-pyridinecarboxamide
  • Niacinamide
Brand Names
  • MultiVitamin with Fluoride
  • Incellderm Dermatology First Package
  • Cica Fucoidan
  • Spring Campus Skin Base
  • Adapalene 0.1% / Benzoyl Peroxide 2.5% / Niacinamide 4%
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)
ATC-CodeA11HA01
CAS number98-92-0

Drug Targets

NameTarget SequencePharmacological ActionActions
ADP-ribosyl cyclase 2MAAQGCAASRLLQLLLQLLLLLLLLAAGGARARWRGEGTSAHLRDIFLGR...unknownproduct of
Exotoxin AMHLTPHWIPLVASLGLLAGGSFASAAEEAFDLWNECAKACVLDLKDGVRS...unknownproduct of
NAD-dependent protein deacylase sirtuin-5, mitochondrialMRPLQIVPSRLISQLYCGLKPPASTRNQICLKMARPSSSMADFRKFFAKA...unknown
L-lactate dehydrogenase A chainMATLKDQLIYNLLKEEQTPQNKITVVGVGAVGMACAISILMKDLADELAL...unknown
Poly [ADP-ribose] polymerase 1MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPH...unknownbinder
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 936
ChEMBL CHEMBL1140
ChEBI CHEBI:17154
CCDC/CSD BOBQUG, ABULIU, BICQAH, BOBRAN, ABULEQ, BICQEL
COD 4511296, 7200287, 4508141, 4508140, 7105898, 2003051, 2017745, 2003052, 2003053