Compound Detail
CHEMBL5181177
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Basic Information
| ChEMBL ID | CHEMBL5181177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTAGPZFKFQUCKM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.13
ALogP
8
HBA
0
HBD
108.1
PSA (Ų)
0.17
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 6.05 | 6.05 | 897.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin | IC50 | = | 897.0 | nM | 6.05 | Inhibition of recombinant human Haspin (470 to 798 residues) expressed in bacter... | 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 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | Dual specificity protein kinase CLK1 | 1 |
| 35447555 | 10.1016/j.ejmech.2022.114369 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 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 |
Data from ChEMBL 36 via Core Engine