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Compound Detail

CHEMBL70491

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CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCc2ccccc21

Basic Information

ChEMBL ID CHEMBL70491
Phase Preclinical
Structure Type MOL
InChI Key AZYIJARWIXEWFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
4.89
ALogP
2
HBA
3
HBD
61.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N2O2
MW 366.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acyl-CoA:cholesterol acyltransferase
CHEMBL6141
IC50 6.09 6.09 810.0 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