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Compound Detail

CHEMBL4554599

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CC1=C(CO[Si](C(C)C)(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 CHEMBL4554599
Phase Preclinical
Structure Type MOL
InChI Key PIIUSCRKTCJIFM-HGFINNGFSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

624.9
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H56O6Si
MW 624.94

Activity Summary

IC50 3 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.46 7.46 35.0 1
A2780
CHEMBL614004
 IC50 7.46 7.46 35.0 1
ARPE-19
CHEMBL4296399
 IC50 7.43 7.43 37.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
A2780 IC50 = 35.0 nM 7.46 Antiproliferative activity against cisplatin-sensitive human A2780 cells measure... 31008605
Unchecked IC50 = 35.0 nM 7.46 Antiproliferative activity against cisplatin-resistant human A2780/CP70 cells me... 31008605
ARPE-19 IC50 = 37.5 nM 7.43 Cytotoxicity against human ARPE19 cells measured after 96 hrs by MTT assay 31008605

Literature References

PubMed DOI Target Context # Activities
31008605 10.1021/acs.jmedchem.9b00146 Unchecked 3
31008605 10.1021/acs.jmedchem.9b00146 A2780 1
31008605 10.1021/acs.jmedchem.9b00146 ARPE-19 1

Data from ChEMBL 36 via Core Engine