Compound Detail
CHEMBL5403883
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5403883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPZWSXHAZFZEAA-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
1.17
ALogP
8
HBA
3
HBD
109.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 8.09 | 8.09 | 8.2 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.38 | 5.38 | 4220.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.11 | 5.11 | 7760.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.07 | 5.07 | 8450.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.48 | 4.48 | 33140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 8.2 | nM | 8.09 | Inhibition of tyrosine kinase in human PANC-1 cells | 38389872 |
| HepG2 | IC50 | = | 4220.0 | nM | 5.38 | Cytotoxicity against human HepG2 cells assessed as inhibition of cell growth inc... | 38728867 |
| PC-3 | IC50 | = | 7760.0 | nM | 5.11 | Cytotoxicity against human PC-3 cells assessed as inhibition of cell growth incu... | 38728867 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of VEGFR2 (unknown origin) | 38728867 |
| MCF7 | IC50 | = | 8450.0 | nM | 5.07 | Cytotoxicity against human MCF7 cells assessed as inhibition of cell growth incu... | 38728867 |
| HCT-116 | IC50 | = | 33140.0 | nM | 4.48 | Cytotoxicity against human HCT-116 cells assessed as inhibition of cell growth i... | 38728867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38389872 | 10.1039/d3md00506b | Molecular identity unknown | 1 |
| 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