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Compound Detail

CHEMBL305819

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CC(C)c1cccc(C(C)C)c1NC(=O)NC1CCc2ccccc21

Basic Information

ChEMBL ID CHEMBL305819
Phase Preclinical
Structure Type MOL
InChI Key FDQZNMHCORFLBS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
5.74
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.73
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 C22H28N2O
MW 336.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acyl-CoA:cholesterol acyltransferase
CHEMBL6141
IC50 6.04 6.04 910.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00387-9 Acyl-CoA:cholesterol acyltransferase 1
- 10.1016/0960-894X(95)00387-9 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine