Compound Detail
CHEMBL455388
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Basic Information
| ChEMBL ID | CHEMBL455388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAJPWWATQVPFEQ-ZDUSSCGKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.60
ALogP
8
HBA
3
HBD
100.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.94 | 5.5333 | 1150.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of starfish oocyte CDK1/cyclin B by scintillation method | 18698753 |
| Unchecked | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human recombinant CDK5/p25 by scintillation method | 18698753 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of pig brain CK1 | 18698753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18698753 | 10.1021/jm800109e | Unchecked | 3 |
| 18698753 | 10.1021/jm800109e | Glycogen synthase kinase-3 | 1 |
| 18698753 | 10.1021/jm800109e | SH-SY5Y | 1 |
| 18698753 | 10.1021/jm800109e | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine