Compound Detail
CHEMBL306315
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Basic Information
| ChEMBL ID | CHEMBL306315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOWGESNQLHDSON-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
294.8
MW (Da)
4.51
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.22 | 7.7867 | 6.0 | 3 |
| NIH3T3 CHEMBL614822 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Balb/MK CHEMBL614065 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 6.0 | nM | 8.22 | In vitro inhibitory activity against epidermal growth factor receptor | 8691423 |
| Epidermal growth factor receptor | IC50 | = | 6.0 | nM | 8.22 | Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyr... | 23434139 |
| NIH3T3 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of EGF-induced c-fos mRNA expression in BALB/c 3T3 cells | 8691423 |
| Epidermal growth factor receptor | IC50 | = | 120.0 | nM | 6.92 | Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing E... | 8691423 |
| Balb/MK | IC50 | = | 470.0 | nM | 6.33 | Inhibition of proliferation of EGF-dependent BALB/MK cells | 8691423 |
| Tyrosine-protein kinase ABL | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of tyrosine kinase v-Abl | 8691423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691423 | 10.1021/jm960118j | NIH3T3 | 4 |
| 8691423 | 10.1021/jm960118j | Epidermal growth factor receptor | 3 |
| 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 |
| 23434139 | 10.1016/j.bmc.2013.01.040 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine