Compound Detail
CHEMBL90540
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Basic Information
| ChEMBL ID | CHEMBL90540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXXUUYKUUAWFJM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.53
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.08 | 6.01 | 84.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 84.0 | nM | 7.08 | Tested for inhibition of Epidermal growth factor receptor from A431 vulval squam... | - |
| Epidermal growth factor receptor | IC50 | = | 11400.0 | nM | 4.94 | Inhibition of EGF-stimulated proliferation of KB cells in culture | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10059-2 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine