Compound Detail
CHEMBL1966703
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Basic Information
| ChEMBL ID | CHEMBL1966703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYBRFXSHAXWYIZ-UHFFFAOYSA-N |
7
Targets
9
Activities
3
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.06
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.8
IC50 1 meas. best 5.52
Kd 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Kd | 6.26 | 6.26 | 550.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Lymphokine-activated killer T-cell-originated protein kinase CHEMBL4896 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine