e-Drug3D

1668
M GEMCITABINE


INN
GEMCITABINE

(is an active metabolite)

cas 116371-66-5
CLASS

ANTINEOPLASTIC
ANTIMETABOLITES
ROUTE (list)

-

ATC code

L01BC05
PK parameters

 Target

TARGET DEOXYCYTIDINE KINASE

PDB
2EUD (STRUCTURES OF YEAST RIBONUCLEOTIDE REDUCTASE I COMPLEXED WITH LIGANDS AND SUBUNIT PEPTIDES)

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

Download experimental 3D coordinates of GCQ 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'-(trihydrogen diphosphate), 2'-deoxy-2',2'-difluoro-

Formula:
C9H13F2N3O10P2

Calculated chemical properties:

MW 420.14
NB_atoms 26
XLogP -2.95
PSA 191.992
NB_HD 3
NB_HA 13
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