Compound Detail
CHEMBL5286575
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Basic Information
| ChEMBL ID | CHEMBL5286575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXVJACSNCQKDTE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
489.0
MW (Da)
5.08
ALogP
7
HBA
0
HBD
60.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.67 | 7.67 | 21.4 | 1 |
| A-431 CHEMBL614069 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.99 | 4.99 | 10230.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.96 | 4.96 | 10870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 21.4 | nM | 7.67 | Inhibition of human EGFR incubated for 2 hrs by ELISA assay | 32739648 |
| A-431 | IC50 | = | 1680.0 | nM | 5.78 | Antiproliferative activity against human A-431 cells assessed as cell growth inh... | 32739648 |
| MDA-MB-231 | IC50 | = | 10230.0 | nM | 4.99 | Antiproliferative activity against human MDA-MB-231 cells assessed as cell growt... | 32739648 |
| A549 | IC50 | = | 10870.0 | nM | 4.96 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 32739648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32739648 | 10.1016/j.ejmech.2020.112640 | MDA-MB-231 | 1 |
| 32739648 | 10.1016/j.ejmech.2020.112640 | A549 | 1 |
| 32739648 | 10.1016/j.ejmech.2020.112640 | Epidermal growth factor receptor | 1 |
| 32739648 | 10.1016/j.ejmech.2020.112640 | A-431 | 1 |
| 32739648 | 10.1016/j.ejmech.2020.112640 | DNA | 1 |
Data from ChEMBL 36 via Core Engine