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Compound Detail

CHEMBL4209365

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CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4209365
Phase Preclinical
Structure Type MOL
InChI Key IUIGMTUVCISTMB-JLEQGUAESA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

621.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H53ClO6Si
MW 621.33

Activity Summary

IC50 8 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 5.6 5.555 2500.0 2
Vero
CHEMBL391
 IC50 5.51 5.485 3100.0 2
HeLa
CHEMBL399
 IC50 5.51 5.49 3100.0 2
A549
CHEMBL392
 IC50 5.42 5.405 3800.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 2500.0 nM 5.6 Cytotoxicity against human MCF7 cells assessed as reduction in cell viability us... 28923386
HeLa IC50 = 3100.0 nM 5.51 Cytotoxicity against human HeLa cells assessed as reduction in cell viability us... 28923386
MCF7 IC50 = 3100.0 nM 5.51 Cytotoxicity against human MCF7 cells assessed as reduction in cell viability us... 28923386
Vero IC50 = 3100.0 nM 5.51 Cytotoxicity against African green monkey Vero cells assessed as reduction in ce... 28923386
HeLa IC50 = 3400.0 nM 5.47 Cytotoxicity against human HeLa cells assessed as reduction in cell viability us... 28923386
Vero IC50 = 3500.0 nM 5.46 Cytotoxicity against African green monkey Vero cells assessed as reduction in ce... 28923386
A549 IC50 = 3800.0 nM 5.42 Cytotoxicity against human A549 cells assessed as reduction in cell viability us... 28923386
A549 IC50 = 4100.0 nM 5.39 Cytotoxicity against human A549 cells assessed as reduction in cell viability us... 28923386

Literature References

PubMed DOI Target Context # Activities
28923386 10.1016/j.ejmech.2017.09.004 HeLa 2
28923386 10.1016/j.ejmech.2017.09.004 A549 2
28923386 10.1016/j.ejmech.2017.09.004 MCF7 2
28923386 10.1016/j.ejmech.2017.09.004 Vero 2

Data from ChEMBL 36 via Core Engine