Compound Detail
CHEMBL4177432
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Basic Information
| ChEMBL ID | CHEMBL4177432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGYMHNWAGXBGBJ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.78
ALogP
5
HBA
3
HBD
95.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.13
EC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| KU812 cell line CHEMBL613997 | EC50 | 4.41 | 4.41 | 38900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 74.0 | nM | 7.13 | Inhibition of recombinant human Pim1 expressed in bacterial expression system us... | 29778892 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 270.0 | nM | 6.57 | Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed... | 29778892 |
| KU812 cell line | EC50 | = | 38900.0 | nM | 4.41 | Cytotoxicity against human KU812 cells assessed as reduction in cell viability a... | 29778892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29778892 | 10.1016/j.ejmech.2018.04.056 | Unchecked | 8 |
| 29778892 | 10.1016/j.ejmech.2018.04.056 | KU812 cell line | 1 |
| 29778892 | 10.1016/j.ejmech.2018.04.056 | Glycogen synthase kinase-3 | 1 |
| 29778892 | 10.1016/j.ejmech.2018.04.056 | Dual specificity protein kinase CLK1 | 1 |
| 29778892 | 10.1016/j.ejmech.2018.04.056 | Serine/threonine-protein kinase haspin | 1 |
| 29778892 | 10.1016/j.ejmech.2018.04.056 | CDK9/cyclin T1 | 1 |
| 29778892 | 10.1016/j.ejmech.2018.04.056 | CDK2/Cyclin A2 | 1 |
| 29778892 | 10.1016/j.ejmech.2018.04.056 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 29778892 | 10.1016/j.ejmech.2018.04.056 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine