Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4089929

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@H]([C@H](C)CCCCCC)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4089929
Phase Preclinical
Structure Type MOL
InChI Key QSEMYQVVFCUPPF-SQPIFTARSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

732.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H61N3O6Si
MW 732.05

Activity Summary

IC50 3 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
K562
CHEMBL385
 IC50 5.75 5.75 1780.0 1
MCF7
CHEMBL387
 IC50 5.57 5.55 2690.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
K562 IC50 = 1780.0 nM 5.75 Cytotoxicity against human K562 cells measured after 72 hrs by MTT assay 28075592
MCF7 IC50 = 2690.0 nM 5.57 Cytotoxicity against human MCF7 cells incubated for 72 hrs under hypoxic conditi... 28075592
MCF7 IC50 = 2980.0 nM 5.53 Cytotoxicity against human MCF7 cells incubated for 72 hrs under normoxic condit... 28075592

Literature References

PubMed DOI Target Context # Activities
28075592 10.1021/acs.jmedchem.6b01745 MCF7 3
28075592 10.1021/acs.jmedchem.6b01745 K562 2
28075592 10.1021/acs.jmedchem.6b01745 No relevant target 1

Data from ChEMBL 36 via Core Engine