Compound Detail
CHEMBL1241662
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Basic Information
| ChEMBL ID | CHEMBL1241662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APWGKQAYROBBCL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.8
MW (Da)
4.97
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of CDK2 | 16584130 |
| Cyclin-dependent kinase 1 | IC50 | = | 104.0 | nM | 6.98 | Inhibition of CDK1 | 16584130 |
| Cyclin-dependent kinase 4 | IC50 | = | 810.0 | nM | 6.09 | Inhibition of CDK4 | 16584130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 4 | 1 |
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 2 | 1 |
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine