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Compound Detail

CHEMBL4176834

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COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)c(NC(=O)Cn4cc([Si](C)(C)C)nn4)c3CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176834
Phase Preclinical
Structure Type MOL
InChI Key YDSSLPHFMLVOOE-MWVDVNALSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

510.8
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H42N4O3Si
MW 510.76

Activity Summary

IC50 2 meas. best 4.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SK-OV-3
CHEMBL614925
 IC50 4.19 4.19 65200.0 1
PC-3
CHEMBL390
 IC50 4.03 4.03 94300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SK-OV-3 IC50 = 65200.0 nM 4.19 Cytotoxicity against human SKOV3 cells assessed as reduction in cell viability a... 28759877
PC-3 IC50 = 94300.0 nM 4.03 Cytotoxicity against human PC3 cells assessed as reduction in cell viability aft... 28759877

Literature References

PubMed DOI Target Context # Activities
28759877 10.1016/j.ejmech.2017.07.049 MDA-MB-231 1
28759877 10.1016/j.ejmech.2017.07.049 PC-3 1
28759877 10.1016/j.ejmech.2017.07.049 SK-OV-3 1
28759877 10.1016/j.ejmech.2017.07.049 MCF7 1
28759877 10.1016/j.ejmech.2017.07.049 No relevant target 1
29153424 10.1016/j.bmcl.2017.11.014 Staphylococcus aureus 1
29153424 10.1016/j.bmcl.2017.11.014 Bacillus subtilis 1
29153424 10.1016/j.bmcl.2017.11.014 Escherichia coli 1
29153424 10.1016/j.bmcl.2017.11.014 Pseudomonas fluorescens 1

Data from ChEMBL 36 via Core Engine