Compound Detail
CHEMBL4211413
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Basic Information
| ChEMBL ID | CHEMBL4211413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCPYGBRBLVZLJX-QAQDUYKDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
4.32
ALogP
9
HBA
3
HBD
112.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha | IC50 | = | 290.0 | nM | 6.54 | Inhibition of recombinant human N-terminal GST-His6 tagged PDGFRalpha (Q551 to L... | 29089259 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 980.0 | nM | 6.01 | Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected i... | 29089259 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29089259 | 10.1016/j.bmc.2017.10.032 | HCC827 | 2 |
| 29089259 | 10.1016/j.bmc.2017.10.032 | K562 | 2 |
| 29089259 | 10.1016/j.bmc.2017.10.032 | EOL1 | 2 |
| 29089259 | 10.1016/j.bmc.2017.10.032 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 29089259 | 10.1016/j.bmc.2017.10.032 | Platelet-derived growth factor receptor alpha | 1 |
| 29089259 | 10.1016/j.bmc.2017.10.032 | BT-474 | 1 |
| 29089259 | 10.1016/j.bmc.2017.10.032 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine