Compound Detail
CHEMBL3337612
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Basic Information
| ChEMBL ID | CHEMBL3337612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMKLSXRTUUAEOD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.42
ALogP
5
HBA
2
HBD
83.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | IC50 | = | 14300.0 | nM | 4.84 | Inhibition of IL-6-induced STAT3 phosphorylation in human Cal33 cells assessed a... | 25288188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25288188 | 10.1016/j.bmcl.2014.09.001 | Signal transducer and activator of transcription 3 | 1 |
| 25288188 | 10.1016/j.bmcl.2014.09.001 | Signal transducer and activator of transcription 1-alpha/beta | 1 |
| 25288188 | 10.1016/j.bmcl.2014.09.001 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine