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Compound Detail

CHEMBL41186

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CS(=O)(=O)Nc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41186
Phase Preclinical
Structure Type MOL
InChI Key IPHXLAOYTYAEFX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
5.29
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N2O3S
MW 484.62
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
 IC50 6.44 6.44 360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sterol O-acyltransferase 1 IC50 = 360.0 nM 6.44 In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase 1, rat liver ... 7752185

Literature References

PubMed DOI Target Context # Activities
7752185 10.1021/jm00010a004 Cricetinae gen. sp. 2
7752185 10.1021/jm00010a004 Sterol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine