Compound Detail
CHEMBL2047248
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Basic Information
| ChEMBL ID | CHEMBL2047248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVKUVEHRSYCMGZ-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
353.2
MW (Da)
4.14
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.62 | 4.62 | 24100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 24100.0 | nM | 4.62 | Inhibition of EGFR in human A431 cells pretreated for 60 mins measured after 1 h... | 22739090 |
| Epidermal growth factor receptor | IC50 | = | 24100.0 | nM | 4.62 | Inhibition Assay: Inhibition of various kinase enzyme. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22739090 | 10.1016/j.bmc.2012.05.068 | Dihydrofolate reductase | 2 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Bifunctional dihydrofolate reductase-thymidylate synthase | 2 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | NON-PROTEIN TARGET | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | A-431 | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Platelet-derived growth factor receptor beta | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Vascular endothelial growth factor receptor 2 | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Epidermal growth factor receptor | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Thymidylate synthase | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Unchecked | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Dihydroorotate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine