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

CHEMBL5593546

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
Cc1c(C(=O)NC2(C)CC(F)(F)C2)nc2ccc(Oc3ncc(F)cc3OCC(F)F)cn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5593546
Phase Preclinical
Structure Type MOL
InChI Key NBOYGILYHYBMGA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.4
MW (Da)
4.53
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F5N4O3
MW 470.40
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Diacylglycerol O-acyltransferase 2
CHEMBL5853
 IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Diacylglycerol O-acyltransferase 2 IC50 = 0.6 nM 9.22 Inhibition of human DGAT2 extracted from baculovirus infected Sf9 cell membrane ... 39140039

Literature References

PubMed DOI Target Context # Activities
39140039 10.1021/acsmedchemlett.4c00286 Diacylglycerol O-acyltransferase 2 1

Data from ChEMBL 36 via Core Engine