Details of the Drug

General Information of Drug (ID: DMKFMRY)

Drug Name

Deoxyfluorothymidine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

244.22

Logarithm of the Partition Coefficient (xlogp)

-0.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C10H13FN2O4
IUPAC Name: 1-[(2S,5S)-2-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Canonical SMILES: CC1=CN(C(=O)NC1=O)[C@]2(CC[C@H](O2)CO)F
InChI: InChI=1S/C10H13FN2O4/c1-6-4-13(9(16)12-8(6)15)10(11)3-2-7(5-14)17-10/h4,7,14H,2-3,5H2,1H3,(H,12,15,16)/t7-,10-/m0/s1
InChIKey: KKBCCKWJPCJQLO-XVKPBYJWSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Current use of anti-HIV drugs in AIDS. J Antimicrob Chemother. 1993 Jul;32 Suppl A:133-8.