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Compound Detail

CHEMBL5266932

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CCCCCCCCCCCC(=O)C(C)C(=O)Nc1c(OC)cc(OC)cc1OC

Basic Information

ChEMBL ID CHEMBL5266932
Phase Preclinical
Structure Type MOL
InChI Key QKNJYFOZFPSDTB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
5.78
ALogP
5
HBA
1
HBD
73.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H39NO5
MW 421.58
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.04

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 370.0 nM 6.43 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