Compound Detail
CHEMBL189099
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Basic Information
| ChEMBL ID | CHEMBL189099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLUFVFBSMMPFNB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
2.76
ALogP
8
HBA
2
HBD
88.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D CHEMBL2095942 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 5.39 | 5.39 | 4050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D | IC50 | = | 27.0 | nM | 7.57 | Inhibition of Cyclin-dependent kinase 4-cyclinD | 15801831 |
| MDA-MB-435 | IC50 | = | 290.0 | nM | 6.54 | Inhibitory concentration was measured by the incorporation of [14C]-thymidine in... | 15801831 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 4050.0 | nM | 5.39 | Inhibition of Cyclin dependent kinase 2-cyclin A | 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 | MDA-MB-435 | 1 |
Data from ChEMBL 36 via Core Engine