Compound Detail
CHEMBL207995
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Basic Information
| ChEMBL ID | CHEMBL207995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTIZDTKSGSSUMG-UHFFFAOYSA-N |
16
Targets
17
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.7
MW (Da)
2.47
ALogP
6
HBA
2
HBD
117.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 16 meas. best 7.5
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Serine/threonine-protein kinase 3 CHEMBL4708 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| MAP kinase-activated protein kinase 2 CHEMBL2208 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Mitogen-activated protein kinase 12 CHEMBL4674 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| MAP kinase-activated protein kinase 3 CHEMBL4670 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| Calcium/calmodulin-dependent protein kinase type 1 CHEMBL2493 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16446090 | 10.1016/j.bmcl.2006.01.028 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine