Compound Detail
CHEMBL208849
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Basic Information
| ChEMBL ID | CHEMBL208849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJPDSCHNEKNQAA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
4.38
ALogP
4
HBA
2
HBD
70.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.77 | 5.77 | 1693.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.66 | 4.66 | 21800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1693.0 | nM | 5.77 | Inhibition of EGFR tyrosine kinase | 16759097 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 c... | 16759097 |
| NIH3T3 | IC50 | = | 21800.0 | nM | 4.66 | Inhibition of serum-stimulated proliferation of mouse NIH3T3 cell line after 24 ... | 16759097 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759097 | 10.1021/jm0600390 | Epidermal growth factor receptor | 1 |
| 16759097 | 10.1021/jm0600390 | NIH3T3 | 1 |
| 16759097 | 10.1021/jm0600390 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine