Compound Detail
CHEMBL133214
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Basic Information
| ChEMBL ID | CHEMBL133214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSSREOLCRTWEPI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
1.55
ALogP
5
HBA
3
HBD
92.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.05
Kd 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.03 | 6.03 | 930.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 930.0 | nM | 6.03 | Binding affinity to Clostridium difficile [5'-32P]guaA riboswitch by polyacrylam... | 29220796 |
| Cyclin-dependent kinase 1 | IC50 | = | 90000.0 | nM | 4.05 | Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase ooc... | 9046330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046330 | 10.1021/jm960666x | Cyclin-dependent kinase 1 | 1 |
| 29220796 | 10.1016/j.ejmech.2017.11.079 | Clostridioides difficile | 1 |
| 29220796 | 10.1016/j.ejmech.2017.11.079 | Unchecked | 1 |
| 29220796 | 10.1016/j.ejmech.2017.11.079 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine