Compound Detail
CHEMBL1603850
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Basic Information
| ChEMBL ID | CHEMBL1603850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHVMLVXUCBFGOM-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.10
ALogP
6
HBA
2
HBD
83.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.95 | 4.8633 | 11200.0 | 3 |
| Signal transducer and activator of transcription 1-alpha/beta CHEMBL6101 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
| FaDu CHEMBL612250 | IC50 | 4.51 | 4.51 | 30900.0 | 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 | = | 5000.0 | nM | 5.3 | Inhibition of IL-6-induced STAT3 phosphorylation in human Cal33 cells assessed a... | 25288188 |
| NON-PROTEIN TARGET | IC50 | = | 11200.0 | nM | 4.95 | Growth inhibition of human OSC19 cells | 25288188 |
| Signal transducer and activator of transcription 1-alpha/beta | IC50 | = | 12100.0 | nM | 4.92 | Inhibition of IFNgamma-induced STAT1 phosphorylation in human Cal33 cells by Wes... | 25288188 |
| NON-PROTEIN TARGET | IC50 | = | 12900.0 | nM | 4.89 | Growth inhibition of human CAL33 cells | 25288188 |
| NON-PROTEIN TARGET | IC50 | = | 18000.0 | nM | 4.75 | Growth inhibition of human 686LN cells | 25288188 |
| FaDu | IC50 | = | 30900.0 | nM | 4.51 | Growth inhibition of human FADU cells | 25288188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25288188 | 10.1016/j.bmcl.2014.09.001 | NON-PROTEIN TARGET | 3 |
| - | 10.6019/CHEMBL2094269 | Trypanosoma brucei brucei | 1 |
| 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 |
| 25288188 | 10.1016/j.bmcl.2014.09.001 | FaDu | 1 |
Data from ChEMBL 36 via Core Engine