clofarabine   Click here for help

GtoPdb Ligand ID: 6802

Synonyms: CAFdA | Cl-F-araA | Clolar® | Evoltra®
Approved drug PDB Ligand
clofarabine is an approved drug (FDA (2004), EMA (2009))
Compound class: Synthetic organic
Comment: A DNA polymerase (α/δ/ε) inhibitor, DNA and ribonucleoside-diphosphate reductase (RR1) inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 119.31
Molecular weight 303.05
XLogP 0.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC1OC(C(C1O)F)n1cnc2c1nc(Cl)nc2N
Isomeric SMILES OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n1cnc2c1nc(Cl)nc2N
InChI InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
InChI Key WDDPHFBMKLOVOX-AYQXTPAHSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2004), EMA (2009))
IUPAC Name Click here for help
(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
International Nonproprietary Names Click here for help
INN number INN
8422 clofarabine
Synonyms Click here for help
CAFdA | Cl-F-araA | Clolar® | Evoltra®
Database Links Click here for help
CAS Registry No. 23318-82-1
ChEMBL Ligand CHEMBL1750
DrugBank Ligand DB00631
DrugCentral Ligand 691
GtoPdb PubChem SID 178103408
PubChem CID 119182
RCSB PDB Ligand CFB
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Wikipedia Clofarabine

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Tocris
Clofarabine
Cat. No. 2600