Compound Detail
CHEMBL291313
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Basic Information
| ChEMBL ID | CHEMBL291313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMYPWDDPVIUWHA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
240.2
MW (Da)
1.35
ALogP
5
HBA
1
HBD
119.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.7 | 4.55 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of HER14 (human EGFR overexpressing) cell proliferation. | 1676428 |
| Epidermal growth factor receptor | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of polyGAT phosphorylation | 1676428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1676428 | 10.1021/jm00110a022 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine