Compound Detail
CHEMBL309573
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Basic Information
| ChEMBL ID | CHEMBL309573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IARGFZHXWHLMNG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
2.46
ALogP
8
HBA
2
HBD
110.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.41 | 6.405 | 390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibitory concentration against cyclin-dependent kinase 2 | 15081017 |
| MCF7 | IC50 | = | 390.0 | nM | 6.41 | Inhibitory activity against BrdU incorporation to MCF-7 cell line following 3 da... | 15081017 |
| MCF7 | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human MCF7 cells assessed as BrdU incorporati... | 18815031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081017 | 10.1016/j.bmcl.2004.02.015 | Cyclin-dependent kinase 2 | 1 |
| 15081017 | 10.1016/j.bmcl.2004.02.015 | MCF7 | 1 |
| 18815031 | 10.1016/j.bmcl.2008.09.024 | Cyclin-dependent kinase 2 | 1 |
| 18815031 | 10.1016/j.bmcl.2008.09.024 | MCF7 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine