gemcitabine

Ligand id: 4793

Name: gemcitabine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 108.05
Molecular weight 264.08
XLogP -0.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
IUPAC Name
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
International Nonproprietary Names
INN number INN
6515 gemcitabine
Synonyms
gemcitabine hydrochloride | Gemzar®
Database Links
CAS Registry No. 95058-81-4
ChEMBL Ligand CHEMBL888
DrugBank Ligand DB00441
PubChem CID 60750
RCSB PDB Ligand GEO
Search Google for chemical match using the InChIKey SDUQYLNIPVEERB-QPPQHZFASA-N
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Wikipedia Gemcitabine
Comments
Gemcitabine is a nucleoside analogue chemotherapeutic. Chemically, the hydrogen atoms on the 2' carbon of deoxycytidine are replaced by fluorine atoms.