Details of the Drug

General Information of Drug (ID: DM762FY)

Drug Name

5-propenyl-arabinofuranosyluracil 5'-triphosphate

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 4

Molecular Weight (mw)

524.2

Logarithm of the Partition Coefficient (xlogp)

-4.9

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

7

Hydrogen Bond Acceptor Count (hbondacc)

15

Chemical Identifiers

Formula: C12H19N2O15P3
IUPAC Name: [[(E)-1-[(2S,3S,4S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]but-2-enoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate
Canonical SMILES: C/C=C/C([C@@H]1[C@H]([C@@H](C(O1)N2C=CC(=O)NC2=O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI: InChI=1S/C12H19N2O15P3/c1-2-3-6(27-31(22,23)29-32(24,25)28-30(19,20)21)10-8(16)9(17)11(26-10)14-5-4-7(15)13-12(14)18/h2-6,8-11,16-17H,1H3,(H,22,23)(H,24,25)(H,13,15,18)(H2,19,20,21)/b3-2+/t6?,8-,9-,10+,11?/m0/s1
InChIKey: XLORWTLPILWCFG-GPJQKZQFSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Herpes simplex virus DNA polymerase UL30 (HSV UL30)	TTIU7X1	DPOL_HHV11	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Inhibition of human hepatitis B virus DNA polymerase and duck hepatitis B virus DNA polymerase by triphosphates of thymidine analogs and pharmacokinetic properties of the corresponding nucleosides. JMed Virol. 1988 Dec;26(4):353-62.