Compound Detail
CHEMBL1682359
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Basic Information
| ChEMBL ID | CHEMBL1682359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHLKBSAOSZPTFS-UHFFFAOYSA-N |
16
Targets
18
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
3.17
ALogP
3
HBA
1
HBD
54.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 18 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 7.1 | 7.025 | 79.4 | 2 |
| Death-associated protein kinase 3 CHEMBL2468 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 6.32 | 6.32 | 482.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Aurora kinase B CHEMBL2185 | Ki | 5.63 | 5.615 | 2366.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 5.6 | 5.6 | 2530.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| MAP/microtubule affinity-regulating kinase 3 CHEMBL5600 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| LIM domain kinase 1 CHEMBL3836 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Aurora kinase B | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Epidermal growth factor receptor | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Glycogen synthase kinase-3 beta | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Tyrosine-protein kinase JAK2 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Vascular endothelial growth factor receptor 2 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Serine/threonine-protein kinase PAK 4 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Serine/threonine-protein kinase pim-1 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine