Compound Detail
CHEMBL5185036
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Basic Information
| ChEMBL ID | CHEMBL5185036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTTAVDAEVCLLLX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
4.20
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.52 | 7.52 | 30.2 | 1 |
| HeLa CHEMBL399 | IC50 | 4.76 | 4.76 | 17280.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.75 | 4.75 | 17710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 30.18 | nM | 7.52 | Inhibition of EGFR tyrosine kinase (unknown origin) | 34995690 |
| HeLa | IC50 | = | 17280.0 | nM | 4.76 | Antiproliferative activity against human HeLa cells assessed as cell growth inhi... | 34995690 |
| A-431 | IC50 | = | 17710.0 | nM | 4.75 | Antiproliferative activity against human A-431 cells overexpressing EGFR assesse... | 34995690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34995690 | 10.1016/j.bmcl.2021.128524 | A-431 | 2 |
| 34995690 | 10.1016/j.bmcl.2021.128524 | HeLa | 1 |
| 34995690 | 10.1016/j.bmcl.2021.128524 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine