Compound Detail
CHEMBL1090840
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Basic Information
| ChEMBL ID | CHEMBL1090840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOJBBIAOHTVLEF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.2
MW (Da)
4.87
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 3.2 | nM | 8.49 | 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 | 4 |
| 20222733 | 10.1021/jm901877j | NCI-H1975 | 1 |
| 20222733 | 10.1021/jm901877j | PC-9 | 1 |
Data from ChEMBL 36 via Core Engine