Compound Detail
CHEMBL2178368
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Basic Information
| ChEMBL ID | CHEMBL2178368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKSOXOHTTFKOQL-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.59
ALogP
7
HBA
3
HBD
85.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.3 | 7.04 | 5.0 | 5 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.63 | 6.63 | 233.0 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 4.74 | 4.74 | 18060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 5.0 | nM | 8.3 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 29.0 | nM | 7.54 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 98.0 | nM | 7.01 | Inhibition of EGFR L858R mutant | 23116168 |
| NON-PROTEIN TARGET | IC50 | = | 233.0 | nM | 6.63 | Cytotoxicity against human HCC827 cells incubated for 72 hrs by MTT assay | 23116168 |
| Epidermal growth factor receptor | IC50 | = | 458.0 | nM | 6.34 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 978.0 | nM | 6.01 | Inhibition of EGFR L858R/T790M mutant | 23116168 |
| NCI-H1975 | IC50 | = | 18060.0 | nM | 4.74 | Cytotoxicity against human NCI-H1975 cells incubated for 72 hrs by MTT assay | 23116168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23116168 | 10.1021/jm301365e | Epidermal growth factor receptor | 2 |
| 23116168 | 10.1021/jm301365e | HepG2 | 1 |
| 23116168 | 10.1021/jm301365e | NCI-H1975 | 1 |
| 23116168 | 10.1021/jm301365e | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine