Details of the Drug

General Information of Drug (ID: DM0351T)

Drug Name
5-FP
Synonyms 5-Fluoro-2(1H)-pyrimidinone
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 114.08
Logarithm of the Partition Coefficient (xlogp) -0.4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C4H3FN2O
IUPAC Name
5-fluoro-1H-pyrimidin-2-one
Canonical SMILES
C1=C(C=NC(=O)N1)F
InChI
InChI=1S/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
InChIKey
HPABFFGQPLJKBP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
101498
ChEBI ID
CHEBI:125539
CAS Number
2022-78-8
TTD ID
D02ONT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human Deoxyribonucleic acid (hDNA) TTUTN1I NOUNIPROTAC Binder [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Antitumor properties of 2(1H)-pyrimidinone riboside (zebularine) and its fluorinated analogues. J Med Chem. 1991 Nov;34(11):3280-4.
2 Is the measurement of thymidylate synthase to determine suitability for treatment with 5-fluoropyrimidines ready for prime time. Clin Cancer Res. 2003 Apr;9(4):1235-9.