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Compound Detail

CHEMBL5275997

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CCCCCCCCCCCC(=O)CC(=O)N(C)c1c(C(C)C)cccc1C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5275997
Phase Preclinical
Structure Type MOL
InChI Key RULBNHWXDJAQTE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.7
MW (Da)
7.78
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.22
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H45NO2
MW 415.66
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.07

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1000.0 nM 6.0 Inhibition of small intimal microsomal fraction of cholesterol-fed rabbit ACAT u... 36473091

Literature References

PubMed DOI Target Context # Activities
36473091 10.1021/acs.jmedchem.2c01265 Unchecked 1
36473091 10.1021/acs.jmedchem.2c01265 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine