CLOFARABINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01BB06
UNII 762RDY0Y2H
EPA CompTox DTXSID5046437

Structure

InChI Key WDDPHFBMKLOVOX-AYQXTPAHSA-N
Smiles Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11ClFN5O3
Molecular Weight 303.68
AlogP -0.35
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 119.31
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 2 Phosphodiesterase 2A
- - - - 32.13
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3-380 - - 32.13
Mus musculus
- 230 - - -

Cross References

Resources Reference
ChEBI 681569
ChEMBL CHEMBL1750
DrugBank DB00631
DrugCentral 691
FDA SRS 762RDY0Y2H
Human Metabolome Database HMDB0014769
Guide to Pharmacology 6802
PDB CFB
PharmGKB PA164754863
PubChem 119182
SureChEMBL SCHEMBL9040
ZINC ZINC000003798247
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