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Compound Detail

CHEMBL4566092

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C[Si](C)(C)c1cn(C[C@H](O)[C@H]2OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4566092
Phase Preclinical
Structure Type MOL
InChI Key BUJPFYYFRJBXRN-RBBKRZOGSA-N
9
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O5Si
MW 479.61

Activity Summary

IC50 8 meas. best 4.92
EC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 4.92 4.92 12130.0 1
Cytomegalovirus
CHEMBL613134
 EC50 4.92 4.92 12120.0 1
A549
CHEMBL392
 IC50 4.72 4.72 19180.0 1
HFF
CHEMBL614071
 IC50 4.7 4.7 20020.0 1
HeLa
CHEMBL399
 IC50 4.65 4.65 22300.0 1
HepG2
CHEMBL395
 IC50 4.62 4.62 24110.0 1
HCT-116
CHEMBL394
 IC50 4.5 4.5 31810.0 1
CFPAC-1
CHEMBL613506
 IC50 4.28 4.28 52560.0 1
SW-620
CHEMBL612262
 IC50 4.25 4.25 56030.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytomegalovirus EC50 = 12120.0 nM 4.92 Antiviral activity against Cytomegalovirus Davis infected in human HELF cells as... 31586832
MCF7 IC50 = 12130.0 nM 4.92 Antiproliferative activity against human MCF7 cells assessed as reduction in cel... 31586832
A549 IC50 = 19180.0 nM 4.72 Antiproliferative activity against human A549 cells assessed as reduction in cel... 31586832
HFF IC50 = 20020.0 nM 4.7 Cytotoxicity against human HFF cells assessed as reduction in cell viability inc... 31586832
HeLa IC50 = 22300.0 nM 4.65 Antiproliferative activity against human HeLa cells assessed as reduction in cel... 31586832
HepG2 IC50 = 24110.0 nM 4.62 Antiproliferative activity against human HepG2 cells assessed as reduction in ce... 31586832
HCT-116 IC50 = 31810.0 nM 4.5 Antiproliferative activity against human HCT116cells assessed as reduction in ce... 31586832
CFPAC-1 IC50 = 52560.0 nM 4.28 Antiproliferative activity against human CFPAC-1 cells assessed as reduction in ... 31586832
SW-620 IC50 = 56030.0 nM 4.25 Antiproliferative activity against human SW620 cells assessed as reduction in ce... 31586832

Literature References

PubMed DOI Target Context # Activities
31586832 10.1016/j.ejmech.2019.111739 Human alphaherpesvirus 1 2
31586832 10.1016/j.ejmech.2019.111739 Influenza B virus 2
31586832 10.1016/j.ejmech.2019.111739 Influenza A virus H3N2 2
31586832 10.1016/j.ejmech.2019.111739 Influenza A virus 2
31586832 10.1016/j.ejmech.2019.111739 Unchecked 2
31586832 10.1016/j.ejmech.2019.111739 Human alphaherpesvirus 3 2
31586832 10.1016/j.ejmech.2019.111739 Cytomegalovirus 2
31586832 10.1016/j.ejmech.2019.111739 A549 1
31586832 10.1016/j.ejmech.2019.111739 Sindbis virus 1
31586832 10.1016/j.ejmech.2019.111739 HCT-116 1
31586832 10.1016/j.ejmech.2019.111739 HeLa 1
31586832 10.1016/j.ejmech.2019.111739 HepG2 1
31586832 10.1016/j.ejmech.2019.111739 MCF7 1
31586832 10.1016/j.ejmech.2019.111739 SW-620 1
31586832 10.1016/j.ejmech.2019.111739 HFF 1
31586832 10.1016/j.ejmech.2019.111739 Human alphaherpesvirus 2 1
31586832 10.1016/j.ejmech.2019.111739 Vaccinia virus 1
31586832 10.1016/j.ejmech.2019.111739 Human adenovirus 2 1
31586832 10.1016/j.ejmech.2019.111739 Human coronavirus 229E 1
31586832 10.1016/j.ejmech.2019.111739 Coxsackievirus B4 1

Data from ChEMBL 36 via Core Engine