Compound Detail
CHEMBL140589
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Basic Information
| ChEMBL ID | CHEMBL140589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVVDNGPUSVDRAJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
3.94
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D2 CHEMBL3301385 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibitory activity against CDK4 using recombinant human cyclin D2-CDK4 complex ... | 11741479 |
| Cyclin-dependent kinase 4/cyclin D2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human recombinant CDK4/Cyclin D2 expressed in baculovirus infected... | 26881908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741479 | 10.1021/jm0103256 | Unchecked | 1 |
| 26881908 | 10.1021/acs.jmedchem.5b01849 | Cyclin-dependent kinase 4/cyclin D2 | 1 |
Data from ChEMBL 36 via Core Engine