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Compound Detail

CHEMBL167674

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Cc1cccc(C)c1NC(=O)C1c2ccccc2COc2ccc(C(C)(C)C)cc21

Basic Information

ChEMBL ID CHEMBL167674
Phase Preclinical
Structure Type MOL
InChI Key GLWXHYYDNBTNCR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
6.26
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29NO2
MW 399.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acyl-CoA:cholesterol acyltransferase
CHEMBL6141
IC50 6.3 6.3 500.0 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