Compound Detail
CHEMBL213207
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Basic Information
| ChEMBL ID | CHEMBL213207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEBXAEFZLCNLJJ-UHFFFAOYSA-N |
12
Targets
12
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.01
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 9 meas. best 8.4
IC50 3 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Cell division cycle 7-related protein kinase CHEMBL5443 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Homeodomain-interacting protein kinase 2 CHEMBL4576 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.82 | 6.82 | 151.0 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| HeLa CHEMBL399 | IC50 | 6.43 | 6.43 | 368.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16870444 | 10.1016/j.bmcl.2006.06.073 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 16870444 | 10.1016/j.bmcl.2006.06.073 | HeLa | 1 |
| 21724393 | 10.1016/j.bmcl.2011.06.003 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
Data from ChEMBL 36 via Core Engine