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Compound Detail

CHEMBL2047419

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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]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2047419
Phase Preclinical
Structure Type MOL
InChI Key RZWFBNOFUAHADD-VTYRCZOESA-N
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

582.9
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C34H50O6Si
MW 582.85

Activity Summary

IC50 10 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A2780
CHEMBL614004
 IC50 7.77 7.77 17.0 1
MCF7
CHEMBL387
 IC50 6.7 6.5 200.0 2
ARPE-19
CHEMBL4296399
 IC50 5.78 5.78 1660.0 1
HeLa
CHEMBL399
 IC50 5.77 5.725 1700.0 2
A549
CHEMBL392
 IC50 5.54 5.41 2900.0 2
Vero
CHEMBL391
 IC50 5.51 5.455 3100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
A2780 IC50 = 17.0 nM 7.77 Antiproliferative activity against cisplatin-sensitive human A2780 cells measure... 31008605
MCF7 IC50 = 200.0 nM 6.7 Cytotoxicity against human MCF7 cells assessed as cell viability after 72 hrs by... 22705001
MCF7 IC50 = 500.0 nM 6.3 Cytotoxicity against human MCF7 cells assessed as cell viability after 48 hrs by... 22705001
ARPE-19 IC50 = 1660.0 nM 5.78 Cytotoxicity against human ARPE19 cells measured after 96 hrs by MTT assay 31008605
HeLa IC50 = 1700.0 nM 5.77 Cytotoxicity against human HeLa cells assessed as cell viability after 48 hrs by... 22705001
HeLa IC50 = 2100.0 nM 5.68 Cytotoxicity against human HeLa cells assessed as cell viability after 72 hrs by... 22705001
A549 IC50 = 2900.0 nM 5.54 Cytotoxicity against human A549 cells assessed as cell viability after 72 hrs by... 22705001
Vero IC50 = 3100.0 nM 5.51 Cytotoxicity against african green monkey Vero cells assessed as cell viability ... 22705001
Vero IC50 = 4000.0 nM 5.4 Cytotoxicity against african green monkey Vero cells assessed as cell viability ... 22705001
A549 IC50 = 5300.0 nM 5.28 Cytotoxicity against human A549 cells assessed as cell viability after 48 hrs by... 22705001

Literature References

PubMed DOI Target Context # Activities
22705001 10.1016/j.ejmech.2012.05.032 HeLa 15
22705001 10.1016/j.ejmech.2012.05.032 Caspase-3 4
31008605 10.1021/acs.jmedchem.9b00146 A2780 4
22705001 10.1016/j.ejmech.2012.05.032 Vero 3
31008605 10.1021/acs.jmedchem.9b00146 Unchecked 3
22705001 10.1016/j.ejmech.2012.05.032 A549 2
22705001 10.1016/j.ejmech.2012.05.032 MCF7 2
31008605 10.1021/acs.jmedchem.9b00146 ARPE-19 1

Data from ChEMBL 36 via Core Engine