Compound Detail
CHEMBL290019
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O=C(O)Cn1c(=O)nc2n(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3nc-2c1=O
Basic Information
| ChEMBL ID | CHEMBL290019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUBFLJPTAZVXAW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.3
MW (Da)
3.17
ALogP
7
HBA
1
HBD
107.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione reductase, mitochondrial CHEMBL2755 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione reductase, mitochondrial | IC50 | = | 25000.0 | nM | 4.6 | Inhibitory activity against human glutathione reductase in presence of 100 uM GS... | 8691487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691487 | 10.1021/jm950511+ | Glutathione reductase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine