Compound Detail
CHEMBL1986781
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Basic Information
| ChEMBL ID | CHEMBL1986781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRESELHEXSUQGE-UHFFFAOYSA-N |
17
Targets
17
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
3.61
ALogP
7
HBA
1
HBD
88.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 17 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL2828 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Casein kinase I isoform gamma-3 CHEMBL5084 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Casein kinase I isoform alpha CHEMBL2793 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Casein kinase I isoform gamma-2 CHEMBL2543 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Serine/threonine-protein kinase D3 CHEMBL2595 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Casein kinase I isoform gamma-1 CHEMBL2426 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Serine/threonine-protein kinase TAO1 CHEMBL5261 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Misshapen-like kinase 1 CHEMBL5518 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine