Compound Detail
CHEMBL1947123
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Basic Information
| ChEMBL ID | CHEMBL1947123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAVGHUCVRHUVEM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
376.8
MW (Da)
4.49
ALogP
5
HBA
2
HBD
80.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.03 | 5.03 | 9284.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.05 | 4.05 | 88830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 9284.0 | nM | 5.03 | Inhibition of EGFR after 50 mins by HTRF assay | 22309911 |
| A-431 | IC50 | = | 88830.0 | nM | 4.05 | Cytotoxicity against human A431 cells after 72 hrs by MTT assay | 22309911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22309911 | 10.1016/j.ejmech.2012.01.021 | Epidermal growth factor receptor | 2 |
| 22309911 | 10.1016/j.ejmech.2012.01.021 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine