Compound Detail
CHEMBL4792101
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Basic Information
| ChEMBL ID | CHEMBL4792101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSHZWPCJWQWIST-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.46
ALogP
9
HBA
2
HBD
100.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK4/Cyclin D3 CHEMBL3038472 | IC50 | 8.66 | 8.63 | 2.2 | 2 |
| U-87 MG CHEMBL614247 | IC50 | 6.78 | 6.78 | 164.9 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 6.45 | 6.45 | 355.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK4/Cyclin D3 | IC50 | = | 2.2 | nM | 8.66 | Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 ... | 32200202 |
| CDK4/Cyclin D3 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/G... | 32200202 |
| U-87 MG | IC50 | = | 164.9 | nM | 6.78 | Antiproliferative activity against human U-87 MG cells assessed as cell growth i... | 32200202 |
| COLO 205 | IC50 | = | 355.6 | nM | 6.45 | Antiproliferative activity against human COLO 205 cells assessed as cell growth ... | 32200202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32200202 | 10.1016/j.ejmech.2020.112239 | CDK4/Cyclin D3 | 2 |
| 32200202 | 10.1016/j.ejmech.2020.112239 | COLO 205 | 1 |
| 32200202 | 10.1016/j.ejmech.2020.112239 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine