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

CHEMBL274166

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
CCCCCCCN(CCCCCSc1nc(CCC)c(CCC)[nH]1)C(=O)Nc1ccc(F)cc1F

Basic Information

ChEMBL ID CHEMBL274166
Phase Preclinical
Structure Type MOL
InChI Key OYQUHMPSZCSAKF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

522.8
MW (Da)
8.36
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H44F2N4OS
MW 522.75
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.58

Activity Summary

IC50 2 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
IC50 7.22 7.22 60.0 1
Unchecked
CHEMBL612545
IC50 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7707310 10.1021/jm00007a004 Sterol O-acyltransferase 1 1
7707310 10.1021/jm00007a004 Unchecked 1

Data from ChEMBL 36 via Core Engine