Compound Detail
CHEMBL3633294
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Basic Information
| ChEMBL ID | CHEMBL3633294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPQASQLLZBFDBE-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
377.8
MW (Da)
5.11
ALogP
3
HBA
4
HBD
95.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.18 | 8.18 | 6.6 | 1 |
| A549 CHEMBL392 | IC50 | 5.76 | 5.28 | 1720.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.74 | 5.74 | 1830.0 | 1 |
| EA.hy 926 CHEMBL4296410 | IC50 | 5.13 | 5.13 | 7331.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay | 26342134 |
| Unchecked | IC50 | = | 6.61 | nM | 8.18 | Protac activity at E3 ubiquitin ligase/VEGFR-2 (unknown origin) assessed as indu... | 37030566 |
| A549 | IC50 | = | 1720.0 | nM | 5.76 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 26342134 |
| NON-PROTEIN TARGET | IC50 | = | 1830.0 | nM | 5.74 | Antiproliferative activity against human SMMC7721 cells assessed as cell growth ... | 26342134 |
| EA.hy 926 | IC50 | = | 7331.0 | nM | 5.13 | Antiproliferative activity against human EA.hy 926 cells assessed as inhibition ... | 37030566 |
| A549 | IC50 | = | 15801.0 | nM | 4.8 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 37030566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26342134 | 10.1016/j.ejmech.2015.08.045 | Vascular endothelial growth factor receptor 2 | 1 |
| 26342134 | 10.1016/j.ejmech.2015.08.045 | NON-PROTEIN TARGET | 1 |
| 26342134 | 10.1016/j.ejmech.2015.08.045 | A549 | 1 |
| 37030566 | 10.1016/j.bmcl.2023.129275 | Unchecked | 1 |
| 37030566 | 10.1016/j.bmcl.2023.129275 | EA.hy 926 | 1 |
| 37030566 | 10.1016/j.bmcl.2023.129275 | A549 | 1 |
| 37030566 | 10.1016/j.bmcl.2023.129275 | MDA-MB-453 | 1 |
| 37030566 | 10.1016/j.bmcl.2023.129275 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine