Compound Detail
CHEMBL209818
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Basic Information
| ChEMBL ID | CHEMBL209818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFRDLORGBPIOJT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.9
MW (Da)
4.46
ALogP
6
HBA
1
HBD
90.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.94 | 5.94 | 1139.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 5.16 | 5.16 | 6880.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.78 | 4.78 | 16500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1139.0 | nM | 5.94 | Inhibition of EGFR tyrosine kinase | 16759097 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 6880.0 | nM | 5.16 | Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 c... | 16759097 |
| NIH3T3 | IC50 | = | 16500.0 | nM | 4.78 | 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