Compound Detail
CHEMBL3402057
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Basic Information
| ChEMBL ID | CHEMBL3402057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUYBNBWNFRTAHF-VAWYXSNFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
0.62
ALogP
6
HBA
3
HBD
132.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 17400.0 | nM | 4.76 | Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected S... | 25835357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25835357 | 10.1016/j.bmc.2015.03.025 | RPMI-8226 | 1 |
| 25835357 | 10.1016/j.bmc.2015.03.025 | MCF7 | 1 |
| 25835357 | 10.1016/j.bmc.2015.03.025 | K562 | 1 |
| 25835357 | 10.1016/j.bmc.2015.03.025 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
Data from ChEMBL 36 via Core Engine