e-Drug3D

1687

M FLUDARABINE

INN
FLUDARABINE

cas 74832-57-8

CLASS

ANTINEOPLASTIC
ANTIMETABOLITES
IMMUNOSUPPRESSIVE AGENTS
FLUDARABINE PHOSPHATE IS RAPIDLY DEPHOSPHORYLATED AND THEN PHOSPHORYLATED BY DEOXYCYTIDINE KINASE TO THE ACTIVE TRIPHOSPHATE

ROUTE (list)

ATC code

L01BB05

PK parameters

Target

TARGET DNA POLYMERASE ALPHA, GAMMA AND DELTA
RIBONUCLEOTIDE DIPHOSPHATE REDUCTASE
DNA PRIMASE
DNA LIGASE I

PDB
6DWK (SAMHD1 BOUND TO FLUDARABINE-TP IN THE CATALYTIC POCKET)

Ligand code = HFD (link to the list of PDB complexes)

Download experimental 3D coordinates of HFD with added hydrogens

DrugCentral

DNA polymerase alpha catalytic subunit UNIPROT P09884 POLA1

Download SDF file

9H-Purin-6-amine, 2-fluoro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-beta-D-arabinofuranosyl]-

Formula:
C10H15FN5O13P3

Calculated chemical properties:

MW 521.15
NB_atoms 32
XLogP -4.02
PSA 264.946
NB_HD 4
NB_HA 18
fsp3 0.50
Lipinski(0=no;1=yes) 0

FDA
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