e-Drug3D

1654

M FLUOROURACIL

INN
FLUOROURACIL

cas 134-46-3

CLASS

ANTINEOPLASTIC
BREAST CANCER
COLORECTAL CANCER
COLON CANCER
ANTIMETABOLITES
NUCLEOSIDE METABOLIC INHIBITOR
INHIBITS THE FORMATION OF THYMIDYLATE FROM 2’-DEOXYURIDYLATE

ROUTE (list)

ATC code

L01BC02
L01BC52

PK parameters

Target

TARGET THYMIDYLATE SYNTHASE (TS)

PDB
3H9K (STRUCTURES OF THYMIDYLATE SYNTHASE R163K WITH SUBSTRATES AND INHIBITORS SHOW SUBUNIT ASYMMETRY)

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

Download experimental 3D coordinates of UFP with added hydrogens

DrugCentral

Thymidylate synthase UNIPROT P04818 TYMS

Download SDF file

5'-Uridylic acid, 2'-deoxy-5-fluoro-

Formula:
C9H12FN2O8P

Calculated chemical properties:

MW 324.16
NB_atoms 21
XLogP -2.83
PSA 146.687
NB_HD 2
NB_HA 10
fsp3 0.56
Lipinski(0=no;1=yes) 0

FDA
-