Compound Detail
CHEMBL330894
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Basic Information
| ChEMBL ID | CHEMBL330894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAJUGYNDKQYFIE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.62
ALogP
5
HBA
2
HBD
75.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 37000.0 | nM | 4.43 | Inhibitory activity against cyclin-dependent kinase 1-cyclin B. | 15239650 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of cyclin-dependent kinase 2-cyclin A3 (CDK2) | 15239650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15239650 | 10.1021/jm0311442 | Cyclin-dependent kinase 1/cyclin B | 2 |
| 15239650 | 10.1021/jm0311442 | Cyclin-dependent kinase 2/cyclin A | 2 |
Data from ChEMBL 36 via Core Engine