e-Drug3D

1669
M GEMCITABINE


INN
GEMCITABINE

(is an active metabolite)

cas 110988-86-8
CLASS

ANTINEOPLASTIC
ANTIMETABOLITES
ROUTE (list)

-

ATC code

L01BC05
PK parameters

 Target

TARGET DEOXYCYTIDINE KINASE

PDB
3MDC (DNA POLYMERASE LAMBDA IN COMPLEX WITH DFDCTP)

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

Download experimental 3D coordinates of GTF with added hydrogens

 DrugCentral

Ribonucleoside-diphosphate reductase large subunit UNIPROT P23921 RRM1

Ribonucleoside-diphosphate reductase subunit M2 UNIPROT P31350 RRM2

 Download SDF file Cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2',2'-difluoro-

Formula:
C9H14F2N3O13P3

Calculated chemical properties:

MW 499.11
NB_atoms 30
XLogP -3.47
PSA 236.263
NB_HD 3
NB_HA 16
fsp3 0.56
Lipinski(0=no;1=yes) 0

FDA
-

 Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL