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 (Un)labelled forms Suppliers
Classification
Compound class Metabolite or derivative
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. 59-67-6 (source: DrugBank)
ChEBI CHEBI:15940
ChEMBL Ligand 116656
DrugBank Ligand DB00627
Human Metabolome Database HMDB01488
PharmGKB Drug PA450617
PubChem CID 938
RCSB PDB Ligand NIO
Search Google for chemical match using the InChIKey PVNIIMVLHYAWGP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PVNIIMVLHYAWGP
Search PubMed clinical trials nicotinic acid
Search PubMed titles nicotinic acid
Search PubMed titles/abstracts nicotinic acid
Wikipedia Niacin
ZINC ZINC00001795

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