5-METHYL-2'-FLUOROARAURACIL

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 37F7D05ANB

Structure
InChI Key GBBJCSTXCAQSSJ-JVZYCSMKSA-N
Smile Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
InChI
InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13FN2O5
Molecular Weight 260.22
AlogP -1.57
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 104.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - 180-1400 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL475717
EPA CompTox DTXSID2057659
FDA SRS 37F7D05ANB
PubChem 72327
SureChEMBL SCHEMBL139783
ZINC ZINC000000006228
CONTENTS