Compound Detail
CHEMBL2087360
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Basic Information
| ChEMBL ID | CHEMBL2087360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHDUWXQFEYJFTD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.8
MW (Da)
3.97
ALogP
7
HBA
1
HBD
74.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.7 | 8.025 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of EGFR using GST-Crk as substrate assessed as phosphorylated Crk lev... | 22959248 |
| Epidermal growth factor receptor | IC50 | = | 45.0 | nM | 7.35 | Inhibition of EGFR-mediated intracellular tyrosine phosphorylation in EGF-stimul... | 22959248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22959248 | 10.1016/j.bmcl.2012.06.067 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine