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Compound Detail

CHEMBL111114

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CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(OC)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111114
Phase Preclinical
Structure Type MOL
InChI Key KNOKSYOIPLWANP-PKNBQFBNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

449.7
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39NO2Si
MW 449.71

Activity Summary

IC50 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Squalene monooxygenase
CHEMBL3592
 IC50 6.06 6.06 870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Squalene monooxygenase IC50 = 870.0 nM 6.06 In vitro inhibitory activity against pig liver microsomal squalene epoxidase 7650673

Literature References

PubMed DOI Target Context # Activities
7650673 10.1021/jm00017a004 Squalene monooxygenase 1
7650673 10.1021/jm00017a004 Unchecked 1

Data from ChEMBL 36 via Core Engine