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
Affected Organisms
Humans and other mammalsYeast, Molds, TrypanosomesTrypanosoma brucei gambiense
ATC Code
D11AX16: Eflornithine
D11AX: Other dermatologicals
D11A: OTHER DERMATOLOGICAL PREPARATIONS
D11: OTHER DERMATOLOGICAL PREPARATIONS
D: DERMATOLOGICALS
P01CX03: Eflornithine
P01CX: Other agents against leishmaniasis and trypanosomiasis
P01C: AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
P01: ANTIPROTOZOALS
P: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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
CHEMBL830
CAS Number
70052-12-9
UNII
ZQN1G5V6SR
DrugBank ID
DB06243
TTD ID
D0X7JR
VARIDT ID
DR00843
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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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.