Compound Detail
CHEMBL4078870
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COc1ccc(Cn2cc(-c3cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)NC45CC6CC(CC(C6)C4)C5)n3)ccc2=O)cc1OC
Basic Information
| ChEMBL ID | CHEMBL4078870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQVPWRCSKOKXLO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
674.7
MW (Da)
5.03
ALogP
9
HBA
1
HBD
129.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial CHEMBL4105824 | EC50 | 9.64 | 9.51 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial | EC50 | = | 0.23 | nM | 9.64 | Inhibition of SDHB in human U2OS cells over-expressing tBid assessed as reductio... | 28435527 |
| Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial | EC50 | = | 0.42 | nM | 9.38 | Inhibition of SDHB in human U2OS cells over-expressing Bim assessed as inhibitio... | 28435527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28435527 | 10.1021/acsmedchemlett.6b00489 | No relevant target | 4 |
| 28435527 | 10.1021/acsmedchemlett.6b00489 | Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial | 3 |
| 28435527 | 10.1021/acsmedchemlett.6b00489 | U2OS | 1 |
| 28435527 | 10.1021/acsmedchemlett.6b00489 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine