Niacin

Representations & DB's id
ChEBI:	CHEBI:15940
ChEMBL:	CHEMBL573
PubChem:	938
IUPAC:	pyridine-3-carboxylic acid
Standard InChI:	InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
Standard InChI Key:	PVNIIMVLHYAWGP-UHFFFAOYSA-N
SMILES:	OC(=O)c1cccnc1

Molecular propeties
AlogP:	0.78
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	1
Rotatable bonds:	1
Number of rings:	1
Molecular Weight:	123.03
Topological polar surface area:	50.2
Number of aromatic rings:	1
Fsp3:	0
Number of carbons:	6

Plant sources

Part of plant	Plant name	Ref.
Root	Panax ginseng
Nigra	Sesamum indicum
Plant	Artemisia cina
Plant	Rhodiola rosea
Leaf	Camellia sinensis
Leaf	Camellia sinensis
Stem	Hordeum vulgare
Seed	Hordeum vulgare
Stem	Hordeum vulgare
Seed	Hordeum vulgare

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
EC50	120 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
Others	50 %	HM74 nicotinic acid GPCR	P49019
EC50	75857.76 nM	HM74 nicotinic acid GPCR	P49019
EC50	8.71 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	1000 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
IC50	140 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	1000 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	120 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
IC50	140 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	1000 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
Ki	50 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
IC50	150 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	1000 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
Others	100 %	Hydroxycarboxylic acid receptor 2	Q8TDS4
IC50	140 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
IC50	130 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	1400 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
IC50	140 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	1000 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
Others	0	Hydroxycarboxylic acid receptor 2	Q8TDS4
IC50	140 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
IC50	140 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	1000 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
Others	100 %	Hydroxycarboxylic acid receptor 2	Q8TDS4
Ki	82 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
Ki	104 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	527 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
IC50	140 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	1000 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
IC50	140 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
Potency	18029.9 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	3548.1 nM	Lysosomal alpha-glucosidase	P10253
Potency	3548.1 nM	Lysosomal alpha-glucosidase	P10253
EC50	10000 nM	HM74 nicotinic acid GPCR	P49019
EC50	100 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
Potency	100000 nM	Lysine-specific demethylase 4A	O75164
Potency	79432.8 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
EC50	100 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	99 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	10000 nM	HM74 nicotinic acid GPCR	P49019
EC50	51 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
Potency	8912.5 nM	Glucagon-like peptide 1 receptor	P43220
EC50	780 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
Others	54 %	Multidrug and toxin extrusion protein 1	Q96FL8
IC50	500000 nM	Multidrug and toxin extrusion protein 1	Q96FL8
IC50	249 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
Others	0.8	Hydroxycarboxylic acid receptor 2	Q8TDS4
EC50	47 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
IC50	1125000 nM	D-amino-acid oxidase	P14920
IC50	2778000 nM	D-aspartate oxidase	Q99489
EC50	730 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4

Niacin

Representations & DB's id

Molecular propeties

Plant sources

In vitro data