Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL23111

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCCC1(C(=O)Nc2c(C)c(Cl)c(C)c3c2OC(C)(C)C3)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23111
Phase Preclinical
Structure Type MOL
InChI Key XHIPMDNGQJTSOZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.1
MW (Da)
8.70
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H44ClNO2
MW 462.12
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 0.12

Activity Summary

IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acyl-CoA:cholesterol acyltransferase
CHEMBL6141
 IC50 6.54 6.54 290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acyl-CoA:cholesterol acyltransferase IC50 = 290.0 nM 6.54 Inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase 1 obtain... 8632433

Literature References

PubMed DOI Target Context # Activities
8632433 10.1021/jm950828+ Acyl-CoA:cholesterol acyltransferase 1

Data from ChEMBL 36 via Core Engine