Compound Detail
CHEMBL603082
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O=C(CC(Nc1ccc(F)cc1)C(F)(F)F)Nc1ccc(Oc2cc(NC(=O)N3CCCC3)ncn2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL603082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWIAQZUSHSKEEP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
550.5
MW (Da)
5.55
ALogP
6
HBA
3
HBD
108.5
PSA (Ų)
0.32
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of recombinant GST-fused VEGFR2 expressed in baculovirus infected Sf9... | 20071170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Vascular endothelial growth factor receptor 2 | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine