Compound Detail
CHEMBL5177344
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Basic Information
| ChEMBL ID | CHEMBL5177344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMABLVJCCGQAJL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
3.26
ALogP
5
HBA
1
HBD
64.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL1075280 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 6.23 | 6.23 | 594.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin | IC50 | = | 56.0 | nM | 7.25 | Inhibition of recombinant human Haspin (470 to 798 residues) expressed in bacter... | 35447555 |
| Dual specificity protein kinase CLK1 | IC50 | = | 72.0 | nM | 7.14 | Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as... | 35447555 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 594.0 | nM | 6.23 | Inhibition of recombinant rat DYRK1A (1 to 499 residues ) expressed in bacterial... | 35447555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35447555 | 10.1016/j.ejmech.2022.114369 | Serine/threonine-protein kinase haspin | 2 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | Dual specificity protein kinase CLK1 | 2 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | CDK9/cyclin T1 | 1 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | Glycogen synthase kinase-3 beta | 1 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | Casein kinase I isoform epsilon | 1 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | Serine/threonine-protein kinase pim-1 | 1 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | Tyrosine-protein kinase ABL1 | 1 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | Tyrosine-protein kinase JAK3 | 1 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine