Compound Detail
CHEMBL131653
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 | CHEMBL131653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOFICVMLKCZZHJ-UHFFFAOYSA-N |
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
2.20
ALogP
6
HBA
4
HBD
99.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.22 | 5.386 | 600.0 | 5 |
| Unchecked CHEMBL612545 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| HaCaT CHEMBL614392 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 600.0 | nM | 6.22 | Inhibition of tyrosine kinase activity in ER 22 membrane fraction by competition... | 8258833 |
| Epidermal growth factor receptor | IC50 | = | 600.0 | nM | 6.22 | Inhibitory potency against protein tyrosine kinase activity associated with EGFR... | 8145236 |
| Epidermal growth factor receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of EGFR(epidermal growth factor receptor) autophosphorylation in ER22... | 8145236 |
| Epidermal growth factor receptor | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of EGF-dependent DNA synthesis in ER 22 cells incubated with [3H]TdR | 8258833 |
| Epidermal growth factor receptor | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of EGF-stimulated DNA synthesis in ER22 cells, by measuring [3H]Me-dT... | 8145236 |
| Epidermal growth factor receptor | IC50 | = | 24400.0 | nM | 4.61 | Inhibition of EGF-R Tyrosine kinase (TK) | 7990108 |
| HaCaT | IC50 | = | 29000.0 | nM | 4.54 | Inhibitory activity of HaCaT keratinocyte cell line | 7990108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8145236 | 10.1021/jm00032a020 | Epidermal growth factor receptor | 3 |
| 8258833 | 10.1021/jm00077a014 | Unchecked | 1 |
| 8258833 | 10.1021/jm00077a014 | Epidermal growth factor receptor | 1 |
| 8145236 | 10.1021/jm00032a020 | Protein kinase C (PKC) | 1 |
| 8145236 | 10.1021/jm00032a020 | Unchecked | 1 |
| 7990108 | 10.1021/jm00050a005 | HaCaT | 1 |
| 7990108 | 10.1021/jm00050a005 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine