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  1. General Info
  2. Source Info
  3. Effects Info
  4. Reference
Phytochemical Details
01. General Information
Name Nicotinic acid
PubChem CID 938
Molecular Weight 123.11g/mol
Synonyms

3 Pyridinecarboxylic Acid, 3-Pyridinecarboxylic Acid, Aluminum Salt, Niacin, Enduracin, Hydrochloride, Niacin, Induracin, Lithium Nicotinate, Niacin, Niacin Aluminum Salt, Niacin Ammonium Salt, Niacin Calcium Salt, Niacin Cobalt (2+) Salt, Niacin Copper (2+) Salt, Niacin Hydrochloride, Niacin Iron (2+) Salt, Niacin Lithium Salt, Niacin Lithium Salt, Hemihydrate, Niacin Magnesium Salt, Niacin Manganese (2+) Salt, Niacin Potassium Salt, Niacin Sodium Salt, Niacin Tartrate, Niacin Tosylate, Niacin Zinc Salt, Nicamin, Nico 400, Nico-400, Nico400, Nicobid, Nicocap, Nicolar, Nicotinate, Nicotinate, Lithium, Nicotinic Acid, Potassium Salt, Niacin, Sodium Salt, Niacin, Tartrate, Niacin, Tosylate, Niacin, Wampocap

Formula C₆H₅NO₂
SMILES C1=CC(=CN=C1)C(=O)O
InChI 1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKey PVNIIMVLHYAWGP-UHFFFAOYSA-N
CAS Number 59-67-6
ChEMBL ID CHEMBL573
ChEBI ID CHEBI:15940
Drug Bank ID DB00627
KEGG ID C00253
Toxicity Organism Test Type Route(Dose)
rat LD50 intraperitoneal(165 mg/kg)
mouse LD50 intraperitoneal(254 mg/kg)
rat LD50 oral(322 mg/kg)
Structure 2D-img
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2D MOL 3D MOL
02. Source Information of Phytochemical
Arabidopsis thaliana Unknown
Chineses Pinyin NiNanJie
Species
>Kingdom: Viridiplantae
 -->Phylum: Streptophyta
  -->Class: Equisetopsida
   -->Order: Brassicales
    -->Family: Brassicaceae
     -->Genus: Arabidopsis
      -->Species: Arabidopsis thaliana
03. Combinatorial Therapeutic Effect(s)
Synergistic Effect
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Drug(s) whose efficacy can be enhanced by this phytochemical
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Combination Pair ID: 521
Pair Name Nicotinic acid, Copper (I)
Partner Name Copper (I)
Disease Info [ICD-11: 2C60] Breast cancer Investigative
Biological Phenomena Induction-->Autophagy
Gene Regulation Down-regulation Expression MAP1LC3A hsa84557
Up-regulation Expression NBR1 hsa4077
In Vitro Model HCC1806 Breast squamous cell carcinoma, acantholytic variant Homo sapiens (Human) CVCL_1258
MDA-MB-231 Breast adenocarcinoma Homo sapiens (Human) CVCL_0062
Result CNC restrained the growth, in a dose-dependent manner, and induced cell death in human HCC1806 cell line. In addition, the CNC treated cells displayed inhibition of autophagy, as indicated by reduction of AVOs, decrease in LC3 protein level and up regulation of NBR1 gene expression.
04. Reference
No. Title Href
1 Antitumor Activity of Copper (I)-Nicotinate Complex and Autophagy Modulation in HCC1806 Breast Cancer Cells. Anticancer Agents Med Chem. 2017 Nov 24;17(11):1526-1536. doi: 10.2174/1871520617666170327144122. Click
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