General
Preferred name
Nicotinamide
Synonyms
NIACINAMIDE ()
Nicotinic acid amide ()
Vitamin B3 ()
Vitamin PP ()
Niacinamide ascorbate ()
Nicotinamide (NSC 13128) ()
Niacinamide, Vitamin PP, Nicotinic acid amide, Vitamin B3, NSC 27452,NSC 13128 ()
Freederm ()
Nicotylamide ()
NSC-13128 ()
Niatin ()
Nicobion ()
NSC-27452 ()
Nicam ()
Niacinamid ()
Nicotinamidum ()
Niacin (as niacinamide) ()
Papulex ()
Nicotinamide ()
Nicotinamide-d4 ()
P&D ID
PD000511
CAS
123574-63-0
11032-50-1
98-92-0
347841-88-7
Tags
natural product
drug
available
Approved by
FDA
First approval
1953
Drug Status
nutraceutical
investigational
approved
Drug indication
Vitamin (enzyme co-factor)
Inflammatory skin condition
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Inhibitor of mitochondrial ATPase (Tocris Bioactive Compound Library)
DESCRIPTION Nicotinamide, a water-soluble vitamin, is an active component of coenzymes NAD and NADP, and also acts as an activator of sirtuins. (BOC Sciences Bioactive Compounds)
Compound Sets
24
BOC Sciences Bioactive Compounds
nicotinamide-cas-98-92-0-180950
Cayman Chemical Bioactives
11127
34446
ChEMBL Approved Drugs
CHEMBL1140
ChEMBL Drugs
CHEMBL1140
Drug Repurposing Hub
DrugBank
DB02701
DB14486
DrugBank Approved Drugs
DB02701
DB14486
DrugCentral
1906
DrugCentral Approved Drugs
1906
DrugMAP
DMUPE07
DrugMAP Approved Drugs
DMUPE07
DrugMatrix
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
HY-B0150
NCATS Inxight Approved Drugs
25X51I8RD4
NIH Clinical Collections (NCC)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
Nicotinamide(Niacinamide)
TargetMol Bioactive Compound Library
T0934
The Spectrum Collection
Tocris Bioactive Compound Library
4106
ZINC Tool Compounds
ZINC000000005878
External IDs
60
Properties
(calculated by RDKit )
Molecular Weight
122.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.18
TPSA
55.98
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Chromatin/Epigenetic
DNA Damage/DNA Repair
Anti-infection
Cell Cycle/DNA Damage
Epigenetics
Metabolic Enzyme/Protease
Target
SIRT
BST1, LDHA, PARP1, SIRT5
Endogenous Metabolite
HBV
Sirtuin
Primary Target
Poly(ADP-ribose) Polymerase
MOA
Inhibitor
protein synthesis stimulant
Indication
acne vulgaris (AV)
Therapeutic Class
Antiinflammatory Agents
Solubility
Soluble in Water
Source data