Compound Detail
CHEMBL2006450
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Basic Information
| ChEMBL ID | CHEMBL2006450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLTBOCSFMNSLFH-UHFFFAOYSA-N |
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
4.41
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 10 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Casein kinase I isoform alpha CHEMBL2793 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine