Compound Detail
CHEMBL93032
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Basic Information
| ChEMBL ID | CHEMBL93032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZMCXMIIVHUIPE-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
332.2
MW (Da)
3.55
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.77 | 9.7675 | 0.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.17 | nM | 9.77 | Inhibition of Epidermal growth factor receptor from A431 cells | 7658435 |
| Epidermal growth factor receptor | IC50 | = | 0.17 | nM | 9.77 | Concentration required to inhibit the phosphorylation of a 14-residue fragment o... | 8568816 |
| Epidermal growth factor receptor | IC50 | = | 0.17 | nM | 9.77 | Inhibition of tyrosine kinase activity of Epidermal growth factor receptor from ... | 8632415 |
| Epidermal growth factor receptor | IC50 | = | 0.1738 | nM | 9.76 | Inhibition of EGFR | 18271520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658435 | 10.1021/jm00018a008 | Epidermal growth factor receptor | 1 |
| 8568816 | 10.1021/jm9503613 | Epidermal growth factor receptor | 1 |
| 8632415 | 10.1021/jm950692f | Epidermal growth factor receptor | 1 |
| 18271520 | 10.1021/jm070654j | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine