Compound Detail
CHEMBL3397946
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Basic Information
| ChEMBL ID | CHEMBL3397946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRQAFWNNXGJOJR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.36
ALogP
6
HBA
3
HBD
91.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.14 | 7.14 | 71.9 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.19 | 4.19 | 64460.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.07 | 4.07 | 84530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 71.89 | nM | 7.14 | Inhibition of VEGFR2 (unknown origin) using ATP measured luminescence by ADP-Glo... | 25637123 |
| MCF7 | IC50 | = | 64460.0 | nM | 4.19 | Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay | 25637123 |
| NON-PROTEIN TARGET | IC50 | = | 84530.0 | nM | 4.07 | Antiproliferative activity against human SMMC7721 cells after 48 hrs by MTT assa... | 25637123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25637123 | 10.1016/j.bmc.2015.01.006 | MCF7 | 1 |
| 25637123 | 10.1016/j.bmc.2015.01.006 | NON-PROTEIN TARGET | 1 |
| 25637123 | 10.1016/j.bmc.2015.01.006 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine