Compound Detail
CHEMBL5562930
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Basic Information
| ChEMBL ID | CHEMBL5562930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAJHBOYILMHFIY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
211.2
MW (Da)
2.52
ALogP
3
HBA
2
HBD
61.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL1075280 | IC50 | 6.86 | 6.86 | 139.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.65 | 6.65 | 222.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin | IC50 | = | 130.0 | nM | 6.89 | Inhibition of recombinant human Haspin kinase domain (470 to 798 residues) expre... | 38320389 |
| Dual specificity protein kinase CLK1 | IC50 | = | 139.0 | nM | 6.86 | Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as... | 38320389 |
| CDK9/cyclin T1 | IC50 | = | 222.0 | nM | 6.65 | Inhibition of human recombinant CDK9/cyclin T expressed in baculovirus-infected ... | 38320389 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 290.0 | nM | 6.54 | Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed... | 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 protein kinase CLK1 | 3 |
| 38320389 | 10.1016/j.bmc.2024.117619 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 3 |
| 38320389 | 10.1016/j.bmc.2024.117619 | CDK9/cyclin T1 | 3 |
| 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 | Serine/threonine-protein kinase pim-1 | 2 |
| 38320389 | 10.1016/j.bmc.2024.117619 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine