Details of the Drug

General Information of Drug (ID: DMQL8XJ)

• Drug Name: Decitabine
• Synonyms: AzadC; Dacogen; Dezocitidine; NCGC_5ADOC; Dacogen (TN); E-7373; Decitabine (USAN/INN); Dacogen, 5-aza-2'-deoxycytidine,NSC 127716, Dacogen, DAC, Decitabine; 2'-Deoxy-5-azacytidine; 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one; 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-s-triazin-2(1H)-one; 4-Amino-1-(2-deoxy-beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one; 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one; 5-AZAdC; 5-Aza-2′-Deoxycytidine; 5-Aza-2'-deoxycytidine; 5-Azadeoxycytidine; 5-Deoxy-2′-azacytidine; 5-aza-2-deoxycytidine; 5-aza-CdR; 5-aza-dC; 5A2dc

Indication

Disease Entry	ICD 11	Status	REF
Myelodysplastic syndrome	2A37	Approved	[1], [2], [3]

• Therapeutic Class: Anticancer Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 228.21
  Topological Polar Surface Area (xlogp); -1.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• ADMET Property:
  Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 1332 mcgh/L [4]
  Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 73.8 mcg/L [4]
  Clearance: The drug present in the plasma can be removed from the body at the rate of 130 mL/min/kg [5]
  Elimination: Less than 1% of administered decitabine is excreted in the urine [6]
  Half-life: The concentration or amount of drug in body reduced by one-half in 0.62 hours [4]
  Metabolism: The drug is metabolized via the sequential action of deoxycytidine kinase, nucleotide monophosphate kinase, and nucleotide diphosphate kinase [7]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 4.8733 micromolar/kg/day [8]
  Unbound Fraction: The unbound fraction of drug in plasma is 1% [5]
  Vd: The volume of distribution (Vd) of drug is 4.59 +/- 1.42 L/kg [6]
• Chemical Identifiers:
  Formula: C8H12N4O4
  IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
  Canonical SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)CO)O
  InChI: InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
  InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N
• Cross-matching ID:
  PubChem CID: 451668
  ChEBI ID: CHEBI:50131
  CAS Number: 2353-33-5
  DrugBank ID: DB01262
  TTD ID: D0X5XU
  INTEDE ID: DR1763

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Modulator	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytidine aminohydrolase (CDA)	DEKEDRC	CDD_HUMAN	Substrate	[9]
Cytidine deaminase (cdd)	DEYILK4	E0TLJ6_MYCHH	Substrate	[10]

Drug-Drug Interaction (DDI) Information of This Drug

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

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Roflumilast	DMPGHY8	Moderate	Additive immunosuppressive effects by the combination of Decitabine and Roflumilast.	Asthma [CA23]	[25]
Teriflunomide	DMQ2FKJ	Major	Additive myelosuppressive effects by the combination of Decitabine and Teriflunomide.	Hyper-lipoproteinaemia [5C80]	[26]
Denosumab	DMNI0KO	Moderate	Additive myelosuppressive effects by the combination of Decitabine and Denosumab.	Low bone mass disorder [FB83]	[27]
Tecfidera	DM2OVDT	Moderate	Additive immunosuppressive effects by the combination of Decitabine and Tecfidera.	Multiple sclerosis [8A40]	[28]
Siponimod	DM2R86O	Major	Additive immunosuppressive effects by the combination of Decitabine and Siponimod.	Multiple sclerosis [8A40]	[29]
Fingolimod	DM5JVAN	Major	Additive immunosuppressive effects by the combination of Decitabine and Fingolimod.	Multiple sclerosis [8A40]	[30]
Ocrelizumab	DMEZ2KH	Moderate	Additive immunosuppressive effects by the combination of Decitabine and Ocrelizumab.	Multiple sclerosis [8A40]	[31]
Ozanimod	DMT6AM2	Major	Additive immunosuppressive effects by the combination of Decitabine and Ozanimod.	Multiple sclerosis [8A40]	[25]
Omacetaxine mepesuccinate	DMPU2WX	Moderate	Additive immunosuppressive effects by the combination of Decitabine and Omacetaxine mepesuccinate.	Myeloproliferative neoplasm [2A20]	[32]
Canakinumab	DM8HLO5	Moderate	Additive immunosuppressive effects by the combination of Decitabine and Canakinumab.	Rheumatoid arthritis [FA20]	[33]
Rilonacept	DMGLUQS	Moderate	Additive immunosuppressive effects by the combination of Decitabine and Rilonacept.	Rheumatoid arthritis [FA20]	[33]
Golimumab	DMHZV7X	Major	Additive immunosuppressive effects by the combination of Decitabine and Golimumab.	Rheumatoid arthritis [FA20]	[34]
Anthrax vaccine	DM9GSWY	Moderate	Antagonize the effect of Decitabine when combined with Anthrax vaccine.	Sepsis [1G40-1G41]	[35]
Valganciclovir	DMS2IUH	Moderate	Additive myelosuppressive effects by the combination of Decitabine and Valganciclovir.	Virus infection [1A24-1D9Z]	[29]

References

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• [4] FDA Approved Drug Products: decitabine for injection
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