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

CHEMBL4092330

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
CCCOc1cccc(Cn2cc(-c3cc(C(F)(F)F)nc(S(C)(=O)=O)n3)ccc2=O)c1

Basic Information

ChEMBL ID CHEMBL4092330
Phase Preclinical
Structure Type MOL
InChI Key FAOZAPMIPNMBQT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
3.56
ALogP
7
HBA
0
HBD
91.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20F3N3O4S
MW 467.47
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.55

Activity Summary

EC50 1 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial
CHEMBL4105824
EC50 7.16 7.16 69.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28435527 10.1021/acsmedchemlett.6b00489 Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial 2
28435527 10.1021/acsmedchemlett.6b00489 U2OS 1

Data from ChEMBL 36 via Core Engine