Compound Detail
CHEMBL1682360
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Basic Information
| ChEMBL ID | CHEMBL1682360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTUKHYNMEWPBNZ-UHFFFAOYSA-N |
15
Targets
16
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
3.20
ALogP
4
HBA
1
HBD
58.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 16 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 6.7 | 6.6 | 199.5 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Death-associated protein kinase 3 CHEMBL2468 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| LIM domain kinase 1 CHEMBL3836 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 5.42 | 5.42 | 3810.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| MAP/microtubule affinity-regulating kinase 3 CHEMBL5600 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | Ki | 5.2 | 5.2 | 6309.6 | 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