NIACINAMIDE

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Search structure


Synonyms	Freederm NSC-13128 NSC-27452 Niacin (as niacinamide) Niacinamid Niacinamide Niatin Nicam Nicobion Nicotinamide Nicotinamidum Nicotinic acid amide Nicotylamide Papulex
Status
Molecule Category	Free-form
UNII	25X51I8RD4
EPA CompTox	DTXSID2020929

Structure


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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H6N2O
Molecular Weight	122.13
AlogP	0.18
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	55.98
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	9.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	0
Epigenetic regulator Eraser Histone deacetylase HDAC class III	-	-	-	-	0.55-100

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	0-100

Cross References

Resources	Reference
ChEBI	17154
ChEMBL	CHEMBL1140
DrugBank	DB02701
DrugCentral	1906
FDA SRS	25X51I8RD4
Human Metabolome Database	HMDB0001406
KEGG	C00153
PDB	NCA
PubChem	936
SureChEMBL	SCHEMBL19978192
ZINC	ZINC000000005878

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025