Compound Detail
CHEMBL1092382
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Basic Information
| ChEMBL ID | CHEMBL1092382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UATWOAYHIISFBR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
5.09
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.55 | 7.5433 | 2.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2.8 | nM | 8.55 | Inhibition of EGFR Leu858Arg mutant by HTRF assay | 20222733 |
| Epidermal growth factor receptor | IC50 | = | 16.0 | nM | 7.8 | Inhibition of wild type EGFR by HTRF assay | 20222733 |
| Epidermal growth factor receptor | IC50 | = | 520.0 | nM | 6.28 | Inhibition of EGFR Leu858Arg and Thr790Met mutant by HTRF assay | 20222733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20222733 | 10.1021/jm901877j | ADMET | 8 |
| 20222733 | 10.1021/jm901877j | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine