nelarabine

Ligand id: 7090

Name: nelarabine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 3
Topological polar surface area 132.85
Molecular weight 297.11
XLogP -1.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (2005), EMA (2007))
IUPAC Name
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(2-imino-6-methoxy-3,9-dihydro-2H-purin-9-yl)oxolane-3,4-diol
International Nonproprietary Names
INN number INN
7704 nelarabine
Synonyms
506U78 | Arranon® | Atriance®
Database Links
CAS Registry No. 121032-29-9
ChEMBL Ligand CHEMBL1201112
DrugBank Ligand DB01280
PubChem CID 3011155
Search Google for chemical match using the InChIKey IXOXBSCIXZEQEQ-UHTZMRCNSA-N
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Search UniChem for chemical match using the InChIKey IXOXBSCIXZEQEQ-UHTZMRCNSA-N
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Wikipedia Nelarabine
Comments
This compound is a prodrug. The active metabolite is its 5'-triphosphate, ara-GTP.