Details of the Drug

General Information of Drug (ID: DMUPE07)

• Drug Name: Nicotinamide
• Synonyms: Aminicotin; Amixicotyn; Amnicotin; Benicot; Dipegyl; Endobion; Enduramide; Hansamid; Mediatric; Niacevit; Niacinamide; Niacotinamide; Niamide; Nicamina; Nicamindon; Nicasir; Nicobion; Nicofort; Nicogen; Nicomidol; Nicosylamide; Nicota; Nicotamide; Nicotilamide; Nicotililamido; Nicotinamid; Nicotinamida; Nicotinamidum; Nicotinsaeureamid; Nicotinsaureamid; Nicotol; Nicotylamide; Nicotylamidum; Nicovit; Nicovitina; Nicovitol; Nicozymin; Nikasan; Nikazan; Nikotinamid; Nikotinsaeureamid; Niocinamide; Niozymin; Papulex; Pelmin; Pelmine; Savacotyl; Amid kyseliny nikotinove; Amid kyseliny nikotinove [Czech]; Amide PP; Astra Brand of Niacinamide; Austrovit PP; Delonin amide; Factor pp; Inovitan PP; Jenapharm Brand of Niacinamide; Merck Brand of Niacinamide; Niacinamide Astra Brand; Niacinamide Jenapharm Brand; Niacinamide Merck Brand; Niacinamide Pharmagenix Brand; Niacinamide [USAN]; Niavit PP; Nicotine acid amide; Nicotine amide; Nicotinic acid amide; Nicotinic amide; Nicotinsaureamid Jenapharm; Nicotinsaureamid [German]; Nikotinsaeureamid [German]; Pelonin amide; Pharmagenix Brand of Niacinamide; Vitamin B; Vitamin PP; Witamina PP; Nicosan 2; Vitamin H1; B 3, Vitamin; B3, Vitamin; Beta-Pyridinecarboxamide; Jenapharm, Nicotinsaureamid; Nandervit-N; Niacin-Vitamin B3; Niacinamide (USP); Nicotinamida [INN-Spanish]; Nicotinamide (Niacinamide); Nicotinamidum [INN-Latin]; Niko-tamin; PP-Faktor; Vi-Nicotyl; Vitamin B (VAN); M-(Aminocarbonyl)pyridine; Niacinamide, Nicotinic acid amide, Nicotinamide; Nicotinamide (JP15/INN); Nicotinamide, niacin, vitamin B3; Nicotinamide-carbonyl-14C; Pyridine-3-carboxamide; Pyridine-3-carboxylic acid amide; 3 Pyridinecarboxamide; 3-Carbamoylpyridine; 3-Pyridinecarboxamide; 3-Pyridinecarboxylic acid amide

Indication

Disease Entry	ICD 11	Status	REF
Inflammatory skin condition	EF20.Y	Approved	[1], [2]

• Therapeutic Class: Antiinflammatory Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 122.12
  Topological Polar Surface Area (xlogp); -0.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• ADMET Property:
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [3]
  Water Solubility: The ability of drug to dissolve in water is measured as 1000 mg/mL [3]
• Chemical Identifiers:
  Formula: C6H6N2O
  IUPAC Name: pyridine-3-carboxamide
  Canonical SMILES: C1=CC(=CN=C1)C(=O)N
  InChI: InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
  InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 936
  ChEBI ID: CHEBI:17154
  CAS Number: 98-92-0
  DrugBank ID: DB02701
  TTD ID: D06NVJ
  INTEDE ID: DR1147

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Poly [ADP-ribose] polymerase 1 (PARP1)	TTVDSZ0	PARP1_HUMAN	Binder	[4]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2E1 (CYP2E1) Main DME	DEVDYN7	CP2E1_HUMAN	Substrate	[5]

Molecular Expression Atlas of This Drug

• The Studied Disease: Inflammatory skin condition
• ICD Disease Classification: EF20.Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Poly [ADP-ribose] polymerase 1 (PARP1)	DTT	PARP1	5.01E-05	1.02	2.68
Cytochrome P450 2E1 (CYP2E1)	DME	CYP2E1	8.79E-01	-8.17E-02	-6.97E-01

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Nicotinamide (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Bedaquiline	DM3906J	Moderate	Increased risk of hepatotoxicity by the combination of Nicotinamide and Bedaquiline.	Antimicrobial drug resistance [MG50-MG52]	[25]
Pexidartinib	DMS2J0Z	Major	Increased risk of hepatotoxicity by the combination of Nicotinamide and Pexidartinib.	Bone/articular cartilage neoplasm [2F7B]	[26]
Cannabidiol	DM0659E	Moderate	Increased risk of hepatotoxicity by the combination of Nicotinamide and Cannabidiol.	Epileptic encephalopathy [8A62]	[27]
Brentuximab vedotin	DMWLC57	Moderate	Increased risk of hepatotoxicity by the combination of Nicotinamide and Brentuximab vedotin.	Hodgkin lymphoma [2B30]	[28]
Mipomersen	DMGSRN1	Major	Increased risk of hepatotoxicity by the combination of Nicotinamide and Mipomersen.	Hyper-lipoproteinaemia [5C80]	[29]
Teriflunomide	DMQ2FKJ	Major	Increased risk of hepatotoxicity by the combination of Nicotinamide and Teriflunomide.	Hyper-lipoproteinaemia [5C80]	[30]
BMS-201038	DMQTAGO	Major	Increased risk of hepatotoxicity by the combination of Nicotinamide and BMS-201038.	Hyper-lipoproteinaemia [5C80]	[31]
Calaspargase pegol	DMQZBXI	Moderate	Increased risk of hepatotoxicity by the combination of Nicotinamide and Calaspargase pegol.	Malignant haematopoietic neoplasm [2B33]	[32]
Idelalisib	DM602WT	Moderate	Increased risk of hepatotoxicity by the combination of Nicotinamide and Idelalisib.	Mature B-cell leukaemia [2A82]	[25]
Trabectedin	DMG3Y89	Moderate	Increased risk of hepatotoxicity by the combination of Nicotinamide and Trabectedin.	Solid tumour/cancer [2A00-2F9Z]	[27]

References

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• [3] BDDCS applied to over 900 drugs
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• [24] NMS-P293, a PARP-1 selective inhibitor with no trapping activity and high CNS penetration, possesses potent in vivo efficacy and represents a novel therapeutic option for brain localized metastases and glioblastoma. Cancer Res 2018;78(13 Suppl):Abstract nr 4843.
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• [26] Product Information. Turalio (pexidartinib). Daiichi Sankyo, Inc., Parsippany, NJ.
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• [31] Product Information. Juxtapid (lomitapide). Aegerion Pharmaceuticals Inc, Cambridge, MA.
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