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Compound Detail

CHEMBL40998

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CCCCCCCCCC[Si](C)(C)CCC(=O)NC(Cc1ccc(C)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40998
Phase Preclinical
Structure Type MOL
InChI Key NBYATBIMYLFITE-UHFFFAOYSA-N
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

465.8
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H47NOSi
MW 465.80

Activity Summary

IC50 9 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
 IC50 6.52 6.52 300.0 1
Unchecked
CHEMBL612545
 IC50 6.52 6.52 300.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.6 5.5143 2511.9 7

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sterol O-acyltransferase 1 IC50 = 300.0 nM 6.52 In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase 1, rat liver ... 7752185
Unchecked IC50 = 300.0 nM 6.52 Inhibition of rat hepatic microsome SOAT 36473091
Plasmodium falciparum IC50 = 2511.89 nM 5.6 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 2511.89 nM 5.6 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 2511.89 nM 5.6 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 2511.89 nM 5.6 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 3162.28 nM 5.5 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 3162.28 nM 5.5 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 6309.57 nM 5.2 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
7752185 10.1021/jm00010a004 Cricetinae gen. sp. 2
7752185 10.1021/jm00010a004 Sterol O-acyltransferase 1 1
20403694 10.1016/j.bmcl.2010.03.101 Sterol O-acyltransferase 1 1
17417631 10.1038/nchembio873 Unchecked 1
36473091 10.1021/acs.jmedchem.2c01265 Unchecked 1
36473091 10.1021/acs.jmedchem.2c01265 Syrian golden hamster 1

Data from ChEMBL 36 via Core Engine