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Compound Detail

CHEMBL222861

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CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#C[Si](C)(C)C)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222861
Phase Preclinical
Structure Type MOL
InChI Key VBSYFQNRMXAOPJ-WDJPJFJCSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

402.6
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N2O2Si
MW 402.57

Activity Summary

IC50 3 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 8.52 8.52 3.0 2
RAW
CHEMBL614631
 IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW IC50 = 3.0 nM 8.52 Inhibition of interferon gamma-stimulated NO production in RAW 264.7 cells after... 17367124
RAW264.7 IC50 = 3.0 nM 8.52 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of IFN-... 21361338
RAW264.7 IC50 = 3.0 nM 8.52 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of IFN-... 21361338

Literature References

PubMed DOI Target Context # Activities
21361338 10.1021/jm101445p RAW264.7 9
21361338 10.1021/jm101445p NAD(P)H dehydrogenase [quinone] 1 2
17367124 10.1021/jm070141c RAW 1

Data from ChEMBL 36 via Core Engine