nelarabine   Click here for help

GtoPdb Ligand ID: 7090

Synonyms: 506U78 | Arranon® | Atriance®
Approved drug
nelarabine is an approved drug (FDA (2005), EMA (2007))
Compound class: Synthetic organic
Comment: This compound is a prodrug. The active metabolite is its 5'-triphosphate, ara-GTP.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 3
Topological polar surface area 149.5
Molecular weight 297.11
XLogP 0.41
No. Lipinski's rules broken 0
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Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1[nH]c(=N)nc2OC
Isomeric SMILES OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1[nH]c(=N)nc2OC
InChI InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2005), EMA (2007))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7704 nelarabine
Synonyms Click here for help
506U78 | Arranon® | Atriance®
Database Links Click here for help
CAS Registry No. 121032-29-9
ChEMBL Ligand CHEMBL1201112
DrugBank Ligand DB01280
DrugCentral Ligand 1892
GtoPdb PubChem SID 178103668
PubChem CID 3011155
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UniChem Compound Search for chemical match using the InChIKey IXOXBSCIXZEQEQ-UHTZMRCNSA-N
UniChem Connectivity Search for chemical match using the InChIKey IXOXBSCIXZEQEQ-UHTZMRCNSA-N
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Nelarabine (links to external site)
Cat. No. 6359