Compound Detail
CHEMBL4450118
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Basic Information
| ChEMBL ID | CHEMBL4450118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKDCDWJONLUJHM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.80
ALogP
8
HBA
2
HBD
135.3
PSA (Ų)
0.19
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.27 | 4.27 | 53240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 53240.0 | nM | 4.27 | Cytotoxicity against human MCF7 cells expressing VEGFR2 and wild type BRAF measu... | 31284081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31284081 | 10.1016/j.ejmech.2019.06.063 | Vascular endothelial growth factor receptor 2 | 1 |
| 31284081 | 10.1016/j.ejmech.2019.06.063 | Serine/threonine-protein kinase B-raf | 1 |
| 31284081 | 10.1016/j.ejmech.2019.06.063 | MCF7 | 1 |
| 31284081 | 10.1016/j.ejmech.2019.06.063 | T47D | 1 |
Data from ChEMBL 36 via Core Engine