Structure

InChI Key VUDZSIYXZUYWSC-DBRKOABJSA-N
Smile O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F
InChI
InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14F2N2O5
Molecular Weight 268.22
AlogP -1.57
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 102.26
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytidine deaminase inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 400 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myelodysplastic Syndromes 4 D009190 FDA
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
ChEMBL CHEMBL3237547
DrugBank DB15694
FDA SRS 39IS23Q1EW
Guide to Pharmacology 11101
PubChem 25267009
SureChEMBL SCHEMBL172256
ZINC ZINC000043205136