Compound Detail
CHEMBL131098
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Basic Information
| ChEMBL ID | CHEMBL131098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWWMKWQCRJJMPZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
1.98
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 | IC50 | = | 40000.0 | nM | 4.4 | 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 |
Data from ChEMBL 36 via Core Engine