Compound Detail
CHEMBL3763204
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Basic Information
| ChEMBL ID | CHEMBL3763204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTPDSHOSRBAEII-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.97
ALogP
6
HBA
2
HBD
105.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 4.5 | 4.47 | 31622.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 31622.78 | nM | 4.5 | Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected i... | 26741853 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 36100.0 | nM | 4.44 | Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected i... | 26741853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26741853 | 10.1016/j.ejmech.2015.12.023 | Cyclin-dependent kinase 2/cyclin E1 | 2 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | K562 | 2 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | MCF7 | 2 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | NON-PROTEIN TARGET | 2 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | G-361 | 1 |
Data from ChEMBL 36 via Core Engine