Details of the Drug

General Information of Drug (ID: DM31ZQM)

Drug Name
Tegafur
Synonyms Tegafur (Fluoropyrimidine)
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 200.17
Topological Polar Surface Area (xlogp) -0.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 1-2 h [2]
Clearance
The drug present in the plasma can be removed from the body at the rate of 0.95 mL/min/kg [3]
Elimination
About less 20% of total dose is excreted unchanged in the urine [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 11 hours [2]
Metabolism
The drug is metabolized via the hepatic [4]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.62 L/kg [3]
Chemical Identifiers
Formula
C8H9FN2O3
IUPAC Name
5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
Canonical SMILES
C1CC(OC1)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
InChIKey
WFWLQNSHRPWKFK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5386
ChEBI ID
CHEBI:32188
CAS Number
17902-23-7
DrugBank ID
DB09256
TTD ID
D0F3SY
INTEDE ID
DR1539

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2E1 (CYP2E1) DEVDYN7 CP2E1_HUMAN Substrate [5]
Cytochrome P450 2A6 (CYP2A6) DEJVYAZ CP2A6_HUMAN Substrate [6]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [7]
Cytochrome P450 3A5 (CYP3A5) DEIBDNY CP3A5_HUMAN Substrate [5]
Cytochrome P450 2C8 (CYP2C8) DES5XRU CP2C8_HUMAN Substrate [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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