Compound Detail
CHEMBL259838
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Basic Information
| ChEMBL ID | CHEMBL259838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTTIISYOYISNJH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
3.33
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibitory concentration against cyclin-dependent kinase 2 | 12941333 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 7.0 | nM | 8.15 | Inhibitory concentration against glycogen synthase kinase-3 alpha | 12941333 |
| Glycogen synthase kinase-3 beta | IC50 | = | 7.0 | nM | 8.15 | Inhibition of recombinant GSK3-beta | 18324764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Glycogen synthase kinase-3 alpha | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Cyclin-dependent kinase 2 | 1 |
| 18324764 | 10.1021/jm7009765 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine