Compound Detail
CHEMBL2178349
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2178349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZSYRUGQSJWOAC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.60
ALogP
8
HBA
2
HBD
74.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.52 | 7.5733 | 3.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 5.22 | 5.22 | 6060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 12.0 | nM | 7.92 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| NON-PROTEIN TARGET | IC50 | = | 24.0 | nM | 7.62 | Cytotoxicity against human HCC827 cells incubated for 72 hrs by MTT assay | 23116168 |
| Epidermal growth factor receptor | IC50 | = | 522.0 | nM | 6.28 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| NCI-H1975 | IC50 | = | 6060.0 | nM | 5.22 | 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 | HepG2 | 1 |
| 23116168 | 10.1021/jm301365e | NCI-H1975 | 1 |
| 23116168 | 10.1021/jm301365e | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine