FLUDARABINE PHOSPHATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 1X9VK9O1SC
EPA CompTox DTXSID2023060
Parent Compound:

Structure

InChI Key GIUYCYHIANZCFB-FJFJXFQQSA-N
Smiles Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13FN5O7P
Molecular Weight 365.21
AlogP -1.72
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 186.07
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
DNA polymerase (alpha/delta/epsilon) inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 130.9 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 90-950 - 130.9 -

Cross References

Resources Reference
ChEBI 63599
ChEMBL CHEMBL1096882
DrugCentral 1189
FDA SRS 1X9VK9O1SC
Human Metabolome Database HMDB0015206
PharmGKB PA449655
PubChem 30751
SureChEMBL SCHEMBL3511
ZINC ZINC000003927870
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