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Compound Detail

CHEMBL348853

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CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2C=Cc2ccccc21

Basic Information

ChEMBL ID CHEMBL348853
Phase Preclinical
Structure Type MOL
InChI Key LULQRSXBQCBDIW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.6
MW (Da)
7.19
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.50
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 C28H29NO
MW 395.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.35

Activity Summary

IC50 1 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acyl-CoA:cholesterol acyltransferase
CHEMBL6141
IC50 7.6 7.6 25.0 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