Compound Detail
CHEMBL5557202
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Basic Information
| ChEMBL ID | CHEMBL5557202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUJGDXZEELAJFC-CLFYSBASSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.33
ALogP
7
HBA
1
HBD
87.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.36 | 5.36 | 4360.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.28 | 5.28 | 5260.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.1 | 5.1 | 8010.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 4360.0 | nM | 5.36 | Cytotoxicity against human MCF7 cells assessed as inhibition of cell growth incu... | 38728867 |
| HCT-116 | IC50 | = | 5260.0 | nM | 5.28 | Cytotoxicity against human HCT-116 cells assessed as inhibition of cell growth i... | 38728867 |
| HepG2 | IC50 | = | 6800.0 | nM | 5.17 | Cytotoxicity against human HepG2 cells assessed as inhibition of cell growth inc... | 38728867 |
| PC-3 | IC50 | = | 8010.0 | nM | 5.1 | Cytotoxicity against human PC-3 cells assessed as inhibition of cell growth incu... | 38728867 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of VEGFR2 (unknown origin) | 38728867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38728867 | 10.1016/j.ejmech.2024.116472 | Vascular endothelial growth factor receptor 2 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | HepG2 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | HCT-116 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | MCF7 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine