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Compound Detail

CHEMBL28866

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Basic Information

ChEMBL ID CHEMBL28866
Phase Preclinical
Structure Type MOL
InChI Key UHGRVODUKSZAKV-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

162.3
MW (Da)
0.81
ALogP
3
HBA
2
HBD
52.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H18N2S
MW 162.30
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness -0.20

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
1875339 10.1021/jm00112a016 HeLa 2
7636868 10.1021/jm00016a008 Deoxyhypusine synthase 1
7636868 10.1021/jm00016a008 CHO 1
1875339 10.1021/jm00112a016 Calf thymus DNA 1

Data from ChEMBL 36 via Core Engine