Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMUPE07)

• Drug Name: Nicotinamide Drug Info
• 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
• Cross-matching ID:
  PubChem CID: 936
  ChEBI ID: CHEBI:17154
  CAS Number: CAS 98-92-0
  TTD Drug ID: DMUPE07
  INTEDE Drug ID: DR1147

Molecule-Related Drug Atlas

Drug(s) Metabolized By Cytochrome P450 2E1 (CYP2E1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Folic acid	DMEMBJC	Folate-deficiency anemia	3A02.Y	Approved	[5]
Cisplatin	DMRHGI9	Solid tumour/cancer	2A00-2F9Z	Approved	[6]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[7]
Acetaminophen	DMUIE76	Pain	MG30-MG3Z	Approved	[8]
Etoposide	DMNH3PG	Solid tumour/cancer	2A00-2F9Z	Approved	[9]
Oxaliplatin	DMQNWRD	Colorectal cancer	2B91.Z	Approved	[10]
Verapamil	DMA7PEW	Hypertension	BA00-BA04	Approved	[11]
Estrone	DM5T6US	Menopausal and postmenopausal disorder	GA30	Approved	[12]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[13]
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[14]

Drug(s) Targeting Poly [ADP-ribose] polymerase 1 (PARP1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
KU-0058948	DMSA4HZ	Ovarian cancer	2C73	Approved	[15]
Niraparib Tosylate	DMLPSWQ	Fallopian tube cancer	2C74	Approved	[16]
CC-486	DMTNQB0	Acute myeloid leukaemia	2A60	Phase 3	[17]
Nicaraven	DMFBNA3	Cerebrovascular disease	8B2Z	Phase 3	[18]
PMID27841036-Compound-37	DM0OVZ2	Ovarian cancer	2C73	Phase 2	[19]
Stenoparib	DMKVBL8	Ovarian cancer	2C73	Phase 2	[20]
AG140699	DMA9FKY	Melanoma	2C30	Phase 2	[21]
AMXI 5001	DMR9H6B	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[22]
NMS-03305293	DM2XIRW	Solid tumour/cancer	2A00-2F9Z	Phase 1	[23]
3-phenyl isoquinolin-1(2H) derivative 1	DMB40HC	N. A.	N. A.	Patented	[19]

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	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2E1 (CYP2E1) Main DME	DEVDYN7	CP2E1_HUMAN	Substrate	[4]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1588).
• [2] Drug information of Nicotinamide. United States Environmental Protection Agency. 2015
• [3] beta-1,2,3-Triazolyl-nucleosides as nicotinamide riboside mimics. Nucleosides Nucleotides Nucleic Acids. 2009 Mar;28(3):238-59.
• [4] Nicotinamide N-oxidation by CYP2E1 in human liver microsomes. Drug Metab Dispos. 2013 Mar;41(3):550-3.
• [5] Chronic ethanol feeding and folate deficiency activate hepatic endoplasmic reticulum stress pathway in micropigs. Am J Physiol Gastrointest Liver Physiol. 2005 Jul;289(1):G54-63.
• [6] Cytochrome P450 2E1 null mice provide novel protection against cisplatin-induced nephrotoxicity and apoptosis. Kidney Int. 2003 May;63(5):1687-96.
• [7] Genotoxicity of tamoxifen, tamoxifen epoxide and toremifene in human lymphoblastoid cells containing human cytochrome P450s. Carcinogenesis. 1994 Jan;15(1):5-9.
• [8] Acetaminophen induced acute liver failure via oxidative stress and JNK activation: protective role of taurine by the suppression of cytochrome P450 2E1. Free Radic Res. 2010 Mar;44(3):340-55.
• [9] A study on the metabolism of etoposide and possible interactions with antitumor or supporting agents by human liver microsomes. J Pharmacol Exp Ther. 1998 Sep;286(3):1294-300.
• [10] The influence of metabolic gene polymorphisms on urinary 1-hydroxypyrene concentrations in Chinese coke oven workers. Sci Total Environ. 2007 Aug 1;381(1-3):38-46.
• [11] Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
• [12] Novel metabolic pathway of estrone and 17beta-estradiol catalyzed by cytochrome P-450. Drug Metab Dispos. 2000 Feb;28(2):110-2.
• [13] Inhibition of cytochrome P450 2E1 by propofol in human and porcine liver microsomes. Biochem Pharmacol. 2002 Oct 1;64(7):1151-6.
• [14] CYP2E1 and clinical features in alcoholics. Neuropsychobiology. 2003;47(2):86-9.
• [15] Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. J Med Chem. 2009 May 14;52(9):3108-11.
• [16] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [17] Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. J Med Chem. 2003 Jan 16;46(2):210-3.
• [18] Inhibition of poly (ADP-ribose) polymerase as a protective effect of nicaraven in ionizing radiation- and ara-C-induced cell death. Anticancer Res. 2006 Sep-Oct;26(5A):3421-7.
• [19] PARP inhibitors as antitumor agents: a patent update (2013-2015).Expert Opin Ther Pat. 2017 Mar;27(3):363-382.
• [20] Clinical pipeline report, company report or official report of Allarity Therapeutics.
• [21] Poly(ADP-ribose) polymerase and the therapeutic effects of its inhibitors. Nat Rev Drug Discov. 2005 May;4(5):421-40.
• [22] AMXI-5001, a novel dual parp1/2 and microtubule polymerization inhibitor for the treatment of human cancers. Am J Cancer Res. 2020 Aug 1;10(8):2649-2676.
• [23] 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.