Compound Detail
CHEMBL4781277
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Basic Information
| ChEMBL ID | CHEMBL4781277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXMKHNHIGFRRCN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
4.61
ALogP
8
HBA
2
HBD
87.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK4/Cyclin D3 CHEMBL3038472 | IC50 | 7.87 | 7.675 | 13.5 | 2 |
| U-87 MG CHEMBL614247 | IC50 | 6.38 | 6.38 | 412.4 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 6.33 | 6.33 | 473.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK4/Cyclin D3 | IC50 | = | 13.5 | nM | 7.87 | Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 ... | 32200202 |
| CDK4/Cyclin D3 | IC50 | = | 32.8 | nM | 7.48 | Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/G... | 32200202 |
| U-87 MG | IC50 | = | 412.4 | nM | 6.38 | Antiproliferative activity against human U-87 MG cells assessed as cell growth i... | 32200202 |
| COLO 205 | IC50 | = | 473.5 | nM | 6.33 | 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