Structure

InChI Key WEIAMZKHBCLFOG-QPAIBFMUSA-N
Smile Cl.O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12
InChI
InChI=1S/C11H14N4O4.ClH/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19;/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19);1H/t5-,7+,9-,10+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15ClN4O4
Molecular Weight 302.72
AlogP -2.02
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 134.26
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Purine nucleoside phosphorylase inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Leukemia, Lymphoid 1 D007945 ClinicalTrials
Lymphoma, T-Cell, Peripheral 1 D016411 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL550755
EPA CompTox DTXSID90182647
FDA SRS 6SN82Y9U73
SureChEMBL SCHEMBL1949526