Compound Detail
CHEMBL68975
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Basic Information
| ChEMBL ID | CHEMBL68975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCEKNRUNVMCCCT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
1.46
ALogP
7
HBA
2
HBD
116.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of Cyclin dependent kinase 1-cyclin B1 from starfish oocytes at 12.5 ... | 12482427 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of human Cyclin-dependent kinase 2 cyclin A3 at 12.5 uM ATP | 12482427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12482427 | 10.1016/s0960-894x(02)00884-3 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 12482427 | 10.1016/s0960-894x(02)00884-3 | Cyclin-dependent kinase 2/cyclin A | 1 |
Data from ChEMBL 36 via Core Engine