Compound Detail
CHEMBL5278835
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Basic Information
| ChEMBL ID | CHEMBL5278835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJCMPHPEECZLCT-LSDHQDQOSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
1.41
ALogP
11
HBA
1
HBD
153.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
EC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| CHO CHEMBL613853 | EC50 | 5.54 | 5.54 | 2850.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 100.0 | nM | 7.0 | Inhibition of GSK3beta (unknown origin) | 33569941 |
| CHO | EC50 | = | 2850.0 | nM | 5.54 | Antiproliferative activity against CHO cells assessed as reduction in cell proli... | 33569941 |
| Cyclin-dependent kinase 2 | IC50 | = | 96000.0 | nM | 4.02 | Inhibition of CDK-2 (unknown origin) | 33569941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33569941 | 10.1021/acs.jmedchem.0c01901 | Glycogen synthase kinase-3 beta | 1 |
| 33569941 | 10.1021/acs.jmedchem.0c01901 | Cyclin-dependent kinase 2 | 1 |
| 33569941 | 10.1021/acs.jmedchem.0c01901 | CHO | 1 |
Data from ChEMBL 36 via Core Engine