Compound Detail
CHEMBL8095
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 | CHEMBL8095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LESFPZSUPOHBIP-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
4.07
ALogP
5
HBA
3
HBD
79.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.7 | 5.225 | 2000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD) | 8151612 |
| Unchecked | IC50 | = | 11400.0 | nM | 4.94 | Inhibition of BALB/MK mouse epidermal keratinocyte proliferation | 8151612 |
| Epidermal growth factor receptor | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells | 8151612 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 64000.0 | nM | 4.19 | Inhibitory activity against c-src tyrosine kinase | 8151612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8151612 | 10.1021/jm00033a019 | Epidermal growth factor receptor | 2 |
| 8151612 | 10.1021/jm00033a019 | Tyrosine-protein kinase ABL | 1 |
| 8151612 | 10.1021/jm00033a019 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 8151612 | 10.1021/jm00033a019 | Protein kinase C (PKC) | 1 |
| 8151612 | 10.1021/jm00033a019 | cAMP-dependent protein kinase alpha-catalytic subunit | 1 |
| 8151612 | 10.1021/jm00033a019 | Platelet-derived growth factor receptor | 1 |
| 8151612 | 10.1021/jm00033a019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine