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Compound Detail

CHEMBL4071549

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CCOc1cccc(Cn2cc(-c3cc(C(F)(F)F)nc(S(C)(=O)=O)n3)ccc2=O)c1

Basic Information

ChEMBL ID CHEMBL4071549
Phase Preclinical
Structure Type MOL
InChI Key ZVVOOIIIAPSTAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
3.17
ALogP
7
HBA
0
HBD
91.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18F3N3O4S
MW 453.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.62

Activity Summary

EC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial
CHEMBL4105824
EC50 6.96 6.96 110.0 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 1

Data from ChEMBL 36 via Core Engine