Details of the Drug

General Information of Drug (ID: DMC7DYX)

Drug Name
Edoxudine
Synonyms
5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dihydropyrimidine-2,4-d ione; ORF-15817; RWJ-15817; Edurid (Salt/Mix); 1-(2-deoxypentofuranosyl)-5-ethylpyrimidine-2,4(1h,3h)-dione; AC1L1CAR; .beta.-5-Ethyldeoxyuridine; TimTec1_004024; SCHEMBL65580; MLS001360450; AC1Q69H9; 5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; .beta.-5-Ethyl-2'-deoxyuridine; XACKNLSZYYIACO-UHFFFAOYSA-N; HMS3056J10; HMS3369L22; HMS1545G20; EDU; AKOS024282522; 5-Ethyl-2'-deoxyuridine ; Edoxudine; MCULE-3445830855; ST056929
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Affected Organisms
Herpes simplex virus
ATC Code
D06BB09: Edoxudine
D06BB: Antivirals
D06B: CHEMOTHERAPEUTICS FOR TOPICAL USE
D06: ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
D: DERMATOLOGICALS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 256.25
Logarithm of the Partition Coefficient (xlogp) -0.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 31.1 min [2]
Bioavailability
The bioavailability of drug is 49% [2]
Clearance
The clearance of drug is 85 mL/min [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 24.1 minutes [4]
Metabolism
The drug is metabolized via a cleavage of the glycoside bond [4]
Chemical Identifiers
Formula
C11H16N2O5
IUPAC Name
5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Canonical SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey
XACKNLSZYYIACO-DJLDLDEBSA-N
Cross-matching ID
PubChem CID
66377
ChEBI ID
CHEMBL318153
CAS Number
15176-29-1
UNII
15ZQM81Y3R
DrugBank ID
DB13421
TTD ID
D0Y4MD
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thymidine kinase 1 (TK1) TTP3QRF KITH_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Thymidine kinase 1 (TK1) DTT TK1 1.14E-03 0.26 0.75
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Sensitivity of monkey B virus (Cercopithecine herpesvirus 1) to antiviral drugs: role of thymidine kinase in antiviral activities of substrate anal... Antimicrob Agents Chemother. 2007 Jun;51(6):2028-34.
2 Spruance SL, Freeman DJ, Sheth NV: Comparison of topically applied 5-ethyl-2'-deoxyuridine and acyclovir in the treatment of cutaneous herpes simplex virus infection in guinea pigs. Antimicrob Agents Chemother. 1985 Jul;28(1):103-6.
3 Cheraghali AM, Kumar R, Wang L, Knaus EE, Wiebe LI: Synthesis, biotransformation, pharmacokinetics, and antiviral properties of 5-ethyl-5-halo-6-methoxy-5,6-dihydro-2'-deoxyuridine diastereomers. Biochem Pharmacol. 1994 Apr 29;47(9):1615-25.
4 Bioavailability and pharmacokinetic parameters for 5-ethyl-2'-deoxyuridine. Antiviral Res. 1994 Dec;25(3-4):259-67.