Ligand Id: 1588
Ligand name nicotinic acid

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 50.19
Molecular weight 123.03
XLogP 0.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: DrugBank)
DrugBank groups approved; nutraceutical; investigational
IUPAC Name
Pyridine-3-carboxylic acid
International Nonproprietary Names
INN number INN
373 nicotinic acid
Synonyms
niacin
nicotinate
PP factor
vitamin B3
vitamin PP
Database Links
CAS Registry No. 30827-46-4 (source: NCI), 59-67-6 (source: DrugBank), 54-86-4 (source: NCI), 636-79-3 (source: NCI)
ChEBI CHEBI:15940
ChEMBL Ligand 116656, 367301
DrugBank Ligand DB00627
Human Metabolome Database HMDB01488
PharmGKB Drug PA450617
PubChem CID 938
RCSB PDB Ligand NIO
Search on ChemSpider PVNIIMVLHYAWGP-UHFFFAOYSA-N
Wikipedia Niacin
ZINC ZINC00001795
iPHACE 9BSJQX2U

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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