Compound Detail
CHEMBL3297998
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Basic Information
| ChEMBL ID | CHEMBL3297998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPTCDUYOZYIIST-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.79
ALogP
5
HBA
0
HBD
51.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chorioallantoic membrane CHEMBL2367390 | IC50 | 7.49 | 7.49 | 32.6 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.46 | 7.46 | 34.4 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.25 | 7.25 | 56.5 | 1 |
| A-431 CHEMBL614069 | IC50 | 6.92 | 6.92 | 120.7 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.47 | 6.47 | 340.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chorioallantoic membrane | IC50 | = | 32.6 | nM | 7.49 | Antiangiogenic activity in fertile leghorn chicken egg Chorioallantoic membrane ... | 24890652 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 34.4 | nM | 7.46 | Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay | 24890652 |
| Platelet-derived growth factor receptor beta | IC50 | = | 56.5 | nM | 7.25 | Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay | 24890652 |
| A-431 | IC50 | = | 120.7 | nM | 6.92 | Cytotoxicity against human A431 cells by SRB assay | 24890652 |
| Epidermal growth factor receptor | IC50 | = | 340.1 | nM | 6.47 | Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay | 24890652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24890652 | 10.1016/j.bmc.2014.04.049 | HeLa | 3 |
| 24890652 | 10.1016/j.bmc.2014.04.049 | SK-OV-3 | 3 |
| 24890652 | 10.1016/j.bmc.2014.04.049 | MDA-MB-435 | 1 |
| 24890652 | 10.1016/j.bmc.2014.04.049 | Tubulin | 1 |
| 24890652 | 10.1016/j.bmc.2014.04.049 | Chorioallantoic membrane | 1 |
| 24890652 | 10.1016/j.bmc.2014.04.049 | Platelet-derived growth factor receptor beta | 1 |
| 24890652 | 10.1016/j.bmc.2014.04.049 | Vascular endothelial growth factor receptor 2 | 1 |
| 24890652 | 10.1016/j.bmc.2014.04.049 | A-431 | 1 |
| 24890652 | 10.1016/j.bmc.2014.04.049 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine