Compound Detail
CHEMBL5563473
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Basic Information
| ChEMBL ID | CHEMBL5563473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMNJQOOMCYGQDB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
294.1
MW (Da)
3.32
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 6.25 | 6.25 | 564.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.17 | 6.17 | 675.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin | IC50 | = | 114.0 | nM | 6.94 | Inhibition of recombinant human Haspin kinase domain (470 to 798 residues) expre... | 38320389 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 564.0 | nM | 6.25 | Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed... | 38320389 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 675.0 | nM | 6.17 | Inhibition of human recombinant PIM-1 expressed in bacteria using histone H1 as ... | 38320389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38320389 | 10.1016/j.bmc.2024.117619 | Serine/threonine-protein kinase haspin | 3 |
| 38320389 | 10.1016/j.bmc.2024.117619 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 3 |
| 38320389 | 10.1016/j.bmc.2024.117619 | Serine/threonine-protein kinase pim-1 | 3 |
| 38320389 | 10.1016/j.bmc.2024.117619 | Dual specificity protein kinase CLK1 | 2 |
| 38320389 | 10.1016/j.bmc.2024.117619 | CDK9/cyclin T1 | 2 |
| 38320389 | 10.1016/j.bmc.2024.117619 | Glycogen synthase kinase-3 beta | 2 |
| 38320389 | 10.1016/j.bmc.2024.117619 | Casein kinase I isoform epsilon | 2 |
| 38320389 | 10.1016/j.bmc.2024.117619 | Cyclin-dependent kinase 5/CDK5 activator 1 | 2 |
| 38320389 | 10.1016/j.bmc.2024.117619 | Unchecked | 1 |
| 38320389 | 10.1016/j.bmc.2024.117619 | TERT-RPE1 | 1 |
| 38320389 | 10.1016/j.bmc.2024.117619 | HBL-100 | 1 |
| 38320389 | 10.1016/j.bmc.2024.117619 | HCT-116 | 1 |
| 38320389 | 10.1016/j.bmc.2024.117619 | SH-SY5Y | 1 |
| 38320389 | 10.1016/j.bmc.2024.117619 | U2OS | 1 |
Data from ChEMBL 36 via Core Engine