Compound Detail
CHEMBL211514
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Basic Information
| ChEMBL ID | CHEMBL211514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIRZNFNHYVXQPP-IBGZPJMESA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.0
MW (Da)
4.15
ALogP
8
HBA
2
HBD
97.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.85 | 5.94 | 140.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of CDK4 | 16942020 |
| Cyclin-dependent kinase 2 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of CDK2 K89T mutant/CycA3 | 16942020 |
| Cyclin-dependent kinase 2 | IC50 | = | 640.0 | nM | 6.19 | Inhibition of CDK2 F82H/L83V/H84D/K89T mutant/CycA3 | 16942020 |
| Cyclin-dependent kinase 2 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of CDK2/CycA3 | 16942020 |
| Cyclin-dependent kinase 2 | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of CDK2 F82H/L83V/H84D mutant/CycA3 | 16942020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16942020 | 10.1021/jm060216x | Cyclin-dependent kinase 2 and 4 (CDK2 and CDK4) | 6 |
| 16942020 | 10.1021/jm060216x | Cyclin-dependent kinase 2 | 6 |
| 16942020 | 10.1021/jm060216x | Cyclin-dependent kinase 4 | 1 |
Data from ChEMBL 36 via Core Engine