e-Drug3D

1655

M FLUOROURACIL

INN
FLUOROURACIL

cas 2710-64-7

CLASS

ANTINEOPLASTIC
BREAST CANCER
COLORECTAL CANCER
COLON CANCER
ANTIMETABOLITES
NUCLEOSIDE METABOLIC INHIBITOR
NUCLEAR TRANSCRIPTIONAL ENZYMES CAN MISTAKENLY INCORPORATE FUTP IN PLACE OF URIDINE TRIPHOSPHATE (UTP) DURING THE SYNTHESIS OF RNA

ROUTE (list)

ATC code

L01BC02
L01BC52

PK parameters

Target

TARGET DNA

PDB
5WNY (DNA POLYMERASE BETA SUBSTRATE COMPLEX WITH INCOMING 5-FDUTP)

Ligand code = B7P (link to the list of PDB complexes)

Download experimental 3D coordinates of B7P with added hydrogens

DrugCentral

Thymidylate synthase UNIPROT P04818 TYMS

Download SDF file

Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-fluoro-

Formula:
C9H14FN2O14P3

Calculated chemical properties:

MW 482.10
NB_atoms 29
XLogP -3.86
PSA 232.824
NB_HD 2
NB_HA 16
fsp3 0.56
Lipinski(0=no;1=yes) 0

FDA
-