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

CHEMBL40608

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
CCCCCCCC/C=C/CCCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40608
Phase Preclinical
Structure Type MOL
InChI Key KIULGBCXKSTGQP-BUHFOSPRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.7
MW (Da)
9.91
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H51NO
MW 441.74
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 0.01

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acyl-CoA:cholesterol acyltransferase
CHEMBL6141
 IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acyl-CoA:cholesterol acyltransferase IC50 = 7.0 nM 8.15 In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestina... 1578488

Literature References

PubMed DOI Target Context # Activities
1578488 10.1021/jm00087a016 Acyl-CoA:cholesterol acyltransferase 1
1578488 10.1021/jm00087a016 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine