Compound Detail
CHEMBL75049
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Basic Information
| ChEMBL ID | CHEMBL75049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGSZHEPJBCJZLG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.32
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Balb/MK CHEMBL614065 | IC50 | 4.61 | 4.61 | 24600.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1900.0 | nM | 5.72 | In vitro inhibitory activity against epidermal growth factor receptor | 8691423 |
| Tyrosine-protein kinase ABL | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of tyrosine kinase v-Abl | 8691423 |
| Balb/MK | IC50 | = | 24600.0 | nM | 4.61 | Inhibition of proliferation of EGF-dependent BALB/MK cells | 8691423 |
| Protein kinase C alpha type | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of Protein kinase C alpha | 8691423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691423 | 10.1021/jm960118j | Epidermal growth factor receptor | 2 |
| 8691423 | 10.1021/jm960118j | Tyrosine-protein kinase ABL | 1 |
| 8691423 | 10.1021/jm960118j | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 8691423 | 10.1021/jm960118j | Protein kinase C alpha type | 1 |
| 8691423 | 10.1021/jm960118j | Balb/MK | 1 |
| 8691423 | 10.1021/jm960118j | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine