Compound Detail
CHEMBL190281
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Basic Information
| ChEMBL ID | CHEMBL190281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEOPNFFYHMAVJA-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
3.82
ALogP
7
HBA
2
HBD
75.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D CHEMBL2095942 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| MDA-MB-468 CHEMBL614335 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D | IC50 | = | 2.0 | nM | 8.7 | Inhibition of Cyclin-dependent kinase 4-cyclinD | 15801831 |
| Cyclin-dependent kinase 4 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of CDK4 (unknown origin) using GST-fused pRb (792 to 928) as substrat... | 26115571 |
| MDA-MB-435 | IC50 | = | 20.0 | nM | 7.7 | Inhibitory concentration was measured by the incorporation of [14C]-thymidine in... | 15801831 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 43.0 | nM | 7.37 | Inhibition of Cyclin dependent kinase 2-cyclin A | 15801831 |
| Cyclin-dependent kinase 2 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of CDK2 (unknown origin) using GST-fused pRb (792 to 928) as substrat... | 26115571 |
| Fibroblast growth factor receptor | IC50 | = | 80.0 | nM | 7.1 | Inhibition of Fibroblast growth factor receptor | 15801831 |
| MDA-MB-468 | IC50 | = | 600.0 | nM | 6.22 | Inhibitory concentration was measured by the incorporation of [14C]thymidine in ... | 15801831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801831 | 10.1021/jm049354h | Cyclin-dependent kinase 4/cyclin D | 1 |
| 15801831 | 10.1021/jm049354h | Cyclin-dependent kinase 2/cyclin A | 1 |
| 15801831 | 10.1021/jm049354h | Fibroblast growth factor receptor | 1 |
| 15801831 | 10.1021/jm049354h | MDA-MB-435 | 1 |
| 15801831 | 10.1021/jm049354h | MDA-MB-468 | 1 |
| 26115571 | 10.1016/j.bmcl.2015.05.100 | Cyclin-dependent kinase 4 | 1 |
| 26115571 | 10.1016/j.bmcl.2015.05.100 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine