Details of the Drug

General Information of Drug (ID: DMJOQM3)

• Drug Name: Eflornithine
• Synonyms: EFLORNITHINE; Ornidyl; 70052-12-9; 2-(Difluoromethyl)ornithine; alpha-Difluoromethylornithine; Difluromethylornithine; Eflornitina [Spanish]; Eflornithinum [Latin]; 2,5-diamino-2-(difluoromethyl)pentanoic acid; alpha-(Difluoromethyl)-DL-ornithine; N-Difluoromethylornithine; DFMO (growth regulator); 67037-37-0; Eflornithine [INN:BAN]; 2-(Difluoromethyl)-DL-ornithine; DL-alpha-(Difluoromethyl)ornithine; MDL 71782; CCRIS 3295; Ornithine, 2-(difluoromethyl)-; Eflornithinum; Eflornitina; DFMO hydrochloride; DFMO hydrochloride hydrate; EFLORNITHINE HYDROCHLORIDE; BMS 203522; Alpha-DFMO HCl; Alpha-Difluoromethylornithine; Alpha-Difluoromethylornithine hydrochloride; CPP-1X; Eflornithine (INN); Ornidyl (TN); DL-alpha-Difluoromethylornithine; DL-alpha-Difluoromethylornithine hydrochloride hydrate; D,L-alpha-Difluoromethylornithine; Alpha-(Difluoromethyl)-DL-ornithine; Alpha,delta-Diamino-alpha-(difluoromethyl)valeric acid; Ornithine, 2-(difluoromethyl)-, monohydrochloride; DL-Ornithine, 2-(difluoromethyl)-, monohydrochloride; DL-Ornithine, 2-(difluoromethyl)-, monohydrochloride, monohydrate; 2,5-diamino-2-(difluoromethyl)pentanoic acid hydrochloride; 2-(Difluoromethyl)-DL-ornithine HCl; 2-(Difluoromethyl)-DL-ornithine hydrochloride; 2-(Difluoromethyl)-DL-ornithine monohydrochloride; 2-(Difluoromethyl)ornithine hydrochloride hydrate

Indication

Disease Entry	ICD 11	Status	REF
African trypanosomiasis	1F51	Approved	[1]
Trypanosomiasis	1D51-1F53	Phase 2	[2]
Colon cancer	2B90.Z	Investigative	[3]
Familial adenomatous polyposis	2B90.Y	Investigative	[3]

• Therapeutic Class: Anticancer Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 182.17
  Logarithm of the Partition Coefficient (xlogp); -2.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• ADMET Property:
  Bioavailability: 55% of drug becomes completely available to its intended biological destination(s) [4]
  Elimination: The drug is excreted via renal []
  Half-life: The concentration or amount of drug in body reduced by one-half in 8 hours [5]
  Metabolism: The drug is not metabolised []
• Chemical Identifiers:
  Formula: C6H12F2N2O2
  IUPAC Name: 2,5-diamino-2-(difluoromethyl)pentanoic acid
  Canonical SMILES: C(CC(C(F)F)(C(=O)O)N)CN
  InChI: InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
  InChIKey: VLCYCQAOQCDTCN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3009
  ChEBI ID: CHEBI:41948
  CAS Number: 70052-12-9
  DrugBank ID: DB06243
  TTD ID: D0X7JR
  VARIDT ID: DR00843
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ornithine decarboxylase (ODC1)	TTUMGNO	DCOR_HUMAN	Inhibitor	[6]

Molecular Expression Atlas of This Drug

• The Studied Disease: African trypanosomiasis
• ICD Disease Classification: 1F51

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Ornithine decarboxylase (ODC1)	DTT	ODC1	5.20E-35	1.58	2.43

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: 5176).
• [2] ClinicalTrials.gov (NCT01636128) Urinary Biomarker Study With Sulindac and Difluoromethylornithine. U.S. National Institutes of Health.
• [3] Eflornithine FDA Label
• [4] Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
• [5] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [6] Plasmodium falciparum and Plasmodium berghei: effects of ornithine decarboxylase inhibitors on erythrocytic schizogony. Exp Parasitol. 1987 Oct;64(2):237-43.