Compound Detail
CHEMBL77933
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Basic Information
| ChEMBL ID | CHEMBL77933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZGHPHUNZKSCKZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
459.3
MW (Da)
6.14
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 6000000.0 | nM | Mus musculus |
| Tmax | 2.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 380.0 | nM | 6.42 | Inhibitory activity against kinase domain containing receptor (KDR/VEGFR2) | 10882357 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against Flt-kinase | 10882357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882357 | 10.1021/jm9909443 | Vascular endothelial growth factor receptor 2 | 2 |
| 10882357 | 10.1021/jm9909443 | Vascular endothelial growth factor receptor 1 | 1 |
| 10882357 | 10.1021/jm9909443 | Platelet-derived growth factor receptor beta | 1 |
| 10882357 | 10.1021/jm9909443 | Mast/stem cell growth factor receptor Kit | 1 |
| 10882357 | 10.1021/jm9909443 | ADMET | 1 |
| 10882357 | 10.1021/jm9909443 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine