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Compound Detail

CHEMBL408179

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CC(C)(SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL408179
Phase Preclinical
Structure Type MOL
InChI Key XSOLHQWRHYIXOC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
4.90
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.56
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 C24H25NO2S
MW 391.54
Aromatic Rings 3
Heavy Atoms 28

Activity Summary

Ki 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Kinesin-like protein KIF11
CHEMBL4581
 Ki 5.28 5.28 5230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Kinesin-like protein KIF11 Ki = 5230.0 nM 5.28 Inhibition of human Eg5 basal ATPase activity 18266314

Literature References

PubMed DOI Target Context # Activities
18266314 10.1021/jm070606z HeLa 1
18266314 10.1021/jm070606z Kinesin-like protein KIF11 1

Data from ChEMBL 36 via Core Engine