Compound Detail
CHEMBL1325877
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Basic Information
| ChEMBL ID | CHEMBL1325877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSLCSENNTORBKX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
1.79
ALogP
7
HBA
0
HBD
105.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin glutathione reductase CHEMBL6110 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.95 | 4.95 | 11270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin glutathione reductase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Schistosoma mansoni TGR | 27396732 |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 11270.0 | nM | 4.95 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27396732 | 10.1021/acs.jmedchem.5b02038 | Thioredoxin glutathione reductase | 1 |
Data from ChEMBL 36 via Core Engine