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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1140
CHEMBL1140
Compound Name NIACINAMIDE
ChEMBL Synonyms NICOTINAMIDE | NICOTINIC ACID AMIDE | NICOTYLAMIDE | Niacinamide
Max Phase 4 (Approved)
Trade Names
Molecular Formula C6H6N2O

Additional synonyms for CHEMBL1140 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1cccnc1
Standard InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
Standard InChI Key DFPAKSUCGFBDDF-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Drugs for Neglected Diseases Initiative (DNDi)
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1140

Molecule Features

CHEMBL1140 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov NIACINAMIDE
The Cochrane Collaboration NIACINAMIDE

Metabolites for CHEMBL1140

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Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
122.1 122.048 -0.32 1 55.98 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.54 -.37 -.37 1 9 0.56

Structural Alerts

There are no structural alerts for CHEMBL1140

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A11 - VITAMINS
A11H - OTHER PLAIN VITAMIN PREPARATIONS
A11HA - Other plain vitamin preparations
A11HA01 - nicotinamide

ChemSpider ChemSpider:DFPAKSUCGFBDDF-UHFFFAOYSA-N
DailyMed niacinamide
PubChem SID: 144204753 SID: 144208914 SID: 144213093 SID: 170464905 SID: 174007286 SID: 29215143 SID: 8139965
Wikipedia Nicotinamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1140



ACToR 123574-63-0 98-92-0 11032-50-1
BindingDB 27507
Brenda 109323 97464 267 137013 163972
ChEBI 17154
DrugBank DB02701
DrugCentral 1906
eMolecules 490874 27678415
EPA CompTox Dashboard DTXSID2020929
FDA SRS 25X51I8RD4
Human Metabolome Database HMDB0001406
IBM Patent System 5963757291037118A8D16DB0E532037C
KEGG Ligand C00153
LINCS LSM-5428
Mcule MCULE-3532732201
Metabolights MTBLC17154
MolPort MolPort-001-783-876
NIH Clinical Collection SAM001246860
Nikkaji J3.988H
NMRShiftDB 20027731
PDBe NCA
PubChem 936
PubChem: Drugs of the Future 12013393
PubChem: Thomson Pharma 15297149
Recon ncam
Rhea 17154
Selleck Nicotinamide(Niacinamide)
SureChEMBL SCHEMBL19978192 SCHEMBL2926
ZINC ZINC000000005878

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/DFPAKSUCGFBDDF-UHFFFAOYSA-N spacer
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