Compound Detail
CHEMBL190651
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Basic Information
| ChEMBL ID | CHEMBL190651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOTQXVZWXJGWAV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.2
MW (Da)
4.40
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.6 | 5.3 | 252.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 252.0 | nM | 6.6 | Inhibition of EGF Receptor autophosphorylation in A431 cell lysate | 16078851 |
| Epidermal growth factor receptor | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 1000... | 16078851 |
| Epidermal growth factor receptor | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 1000... | 16078851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078851 | 10.1021/jm0580196 | Epidermal growth factor receptor | 4 |
| 16078851 | 10.1021/jm0580196 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 16078851 | 10.1021/jm0580196 | Platelet-derived growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine