Compound Detail
CHEMBL515839
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Basic Information
| ChEMBL ID | CHEMBL515839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VELBXKDYGYBFSC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
3.93
ALogP
8
HBA
1
HBD
99.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of CDK2 | 18815031 |
| Cyclin-dependent kinase 4 | IC50 | = | 530.0 | nM | 6.28 | Inhibition of CDK4 | 18815031 |
| LoVo | IC50 | = | 1200.0 | nM | 5.92 | Antiproliferative activity against human LoVo cells assessed as BrdU incorporati... | 18815031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 18815031 | 10.1016/j.bmcl.2008.09.024 | Cyclin-dependent kinase 2 | 1 |
| 18815031 | 10.1016/j.bmcl.2008.09.024 | Cyclin-dependent kinase 4 | 1 |
| 18815031 | 10.1016/j.bmcl.2008.09.024 | LoVo | 1 |
Data from ChEMBL 36 via Core Engine