Compound Detail
CHEMBL194474
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Basic Information
| ChEMBL ID | CHEMBL194474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSDDZVXUCKZOQA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
325.2
MW (Da)
5.25
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.7 | 6.61 | 200.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.07 | 4.07 | 86000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 200.0 | nM | 6.7 | Inhibitory concentration against IL-3 independent Ba/F3 Kit D816V cell line | 16190746 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 300.0 | nM | 6.52 | Inhibitory concentration against IL-3 independent Ba/F3 Kit cell line with SCF (... | 16190746 |
| Unchecked | IC50 | = | 86000.0 | nM | 4.07 | Inhibition of Escherichia coli DdlB assessed as residual activity of the enzyme ... | 21831641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190746 | 10.1021/jm050231m | Mast/stem cell growth factor receptor Kit | 4 |
| 21831641 | 10.1016/j.bmc.2011.07.020 | Escherichia coli | 2 |
| 21831641 | 10.1016/j.bmc.2011.07.020 | Staphylococcus aureus | 2 |
| 21831641 | 10.1016/j.bmc.2011.07.020 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine