Ligand Id: 1594
Ligand name [3H]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
IUPAC Name
Pyridine-3-carboxylic acid
Synonyms
[3H]-nicotinic acid
Database Links
BindingDB Ligand 23515
CAS Registry No. 54-86-4 (source: NCI), 636-79-3 (source: NCI), 30827-46-4 (source: NCI), 59-67-6 (source: DrugBank)
ChEBI CHEBI:15940
ChEMBL Ligand 367301, 116656
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

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