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Compound Detail

CHEMBL2347005

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C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2[C@@H](OC(=O)NCCCCCCC(=O)NO)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2347005
Phase Preclinical
Structure Type MOL
InChI Key GEYMFTUKZLBUPW-YFRHZCBQSA-N
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

620.9
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H56N2O7Si
MW 620.90

Activity Summary

IC50 9 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3-hydroxy-3-methylglutaryl-coenzyme A reductase
CHEMBL402
 IC50 7.27 6.4733 54.1 3
Histone deacetylase 1
CHEMBL325
 IC50 6.91 6.91 122.0 2
Histone deacetylase 6
CHEMBL1865
 IC50 6.86 6.86 139.7 2
Histone deacetylase 2
CHEMBL1937
 IC50 6.18 6.18 657.7 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 54.1 nM 7.27 Inhibition of recombinant HMG-CoA reductase (unknown origin) after 10 mins by sp... 23570542
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 54.1 nM 7.27 Reductase Activity Assay: The HMGR activity was performed using HMG-CoA reductas... -
Histone deacetylase 1 IC50 = 122.0 nM 6.91 Inhibition of recombinant HDAC1 (unknown origin) after 10 mins by fluorimetric a... 23570542
Histone deacetylase 1 IC50 = 122.0 nM 6.91 Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluor... -
Histone deacetylase 6 IC50 = 139.7 nM 6.86 Inhibition of recombinant HDAC6 (unknown origin) after 10 mins by fluorimetric a... 23570542
Histone deacetylase 6 IC50 = 139.7 nM 6.86 Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluor... -
Histone deacetylase 2 IC50 = 657.7 nM 6.18 Inhibition of recombinant HDAC2 (unknown origin) after 10 mins by fluorimetric a... 23570542
Histone deacetylase 2 IC50 = 657.7 nM 6.18 Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluor... -
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 13200.0 nM 4.88 Inhibition of HMG-CoA reductase in human A549 cells after 5 mins by spectrophoto... 23570542

Literature References

PubMed DOI Target Context # Activities
23570542 10.1021/jm400179b 3-hydroxy-3-methylglutaryl-coenzyme A reductase 3
23570542 10.1021/jm400179b Histone deacetylase 6 1
23570542 10.1021/jm400179b Histone deacetylase 2 1
23570542 10.1021/jm400179b Histone deacetylase 1 1

Data from ChEMBL 36 via Core Engine