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Compound Detail

CHEMBL231992

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CC(C)(C)SC[C@H](N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL231992
Phase Preclinical
Structure Type MOL
InChI Key VADVRIAPCDFQJU-YFKPBYRVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

177.3
MW (Da)
0.93
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H15NO2S
MW 177.27
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
17524640 10.1016/j.bmcl.2007.04.101 Kinesin-like protein KIF11 1
17524640 10.1016/j.bmcl.2007.04.101 HeLa 1

Data from ChEMBL 36 via Core Engine