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Compound Detail

CHEMBL355255

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CCc1cccc(CC)c1NC(=O)C1c2ccccc2COc2ccc(Br)cc21

Basic Information

ChEMBL ID CHEMBL355255
Phase Preclinical
Structure Type MOL
InChI Key VXSXFLVYOPASDD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.4
MW (Da)
6.24
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24BrNO2
MW 450.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acyl-CoA:cholesterol acyltransferase
CHEMBL6141
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8145231 10.1021/jm00032a014 Acyl-CoA:cholesterol acyltransferase 1
8145231 10.1021/jm00032a014 Cricetinae gen. sp. 1

Data from ChEMBL 36 via Core Engine