Compound Detail
CHEMBL422540
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Basic Information
| ChEMBL ID | CHEMBL422540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOMNEOSPLONJPF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
8.78
ALogP
2
HBA
2
HBD
31.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NIH3T3 CHEMBL614822 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NIH3T3 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of swiss 3T3 mouse fibroblast proliferation | 7837241 |
| Epidermal growth factor receptor | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory concentration compound against EFGR tyrosine kinase obtained from pla... | 7837241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837241 | 10.1021/jm00001a011 | Epidermal growth factor receptor | 1 |
| 7837241 | 10.1021/jm00001a011 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 7837241 | 10.1021/jm00001a011 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine