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Compound Detail

CHEMBL378123

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O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1sc2c[nH]nc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378123
Phase Preclinical
Structure Type MOL
InChI Key RXCNJHIALIMGAC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
5.39
ALogP
5
HBA
3
HBD
87.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12F3N3O3S
MW 419.38
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial complex II; succinate dehydrogenase
CHEMBL613815
 IC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitochondrial complex II; succinate dehydrogenase IC50 = 26.0 nM 7.58 Inhibition of Septoria nodorum succinate dehydrogenase and Qi site of mitochondr... 16854082

Literature References

PubMed DOI Target Context # Activities
16854082 10.1021/jm060408s Parastagonospora nodorum 2
16854082 10.1021/jm060408s Mitochondrial complex II; succinate dehydrogenase 2

Data from ChEMBL 36 via Core Engine