Compound Detail
CHEMBL2322677
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Basic Information
| ChEMBL ID | CHEMBL2322677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKTMEYXRCJFWAI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
5.02
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase | Ki | = | 0.9 | nM | 9.05 | Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after ... | 24900653 |
| Glycogen synthase kinase-3 beta | Ki | = | 58.0 | nM | 7.24 | Inhibition of human recombinant GSK3beta | 24900653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900653 | 10.1021/ml300348c | Glycogen synthase kinase-3 beta | 1 |
| 24900653 | 10.1021/ml300348c | Cell division cycle 7-related protein kinase | 1 |
Data from ChEMBL 36 via Core Engine