Compound Detail
CHEMBL4082186
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Basic Information
| ChEMBL ID | CHEMBL4082186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNYOFLOPBUAZGE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.13
ALogP
5
HBA
0
HBD
39.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 ce... | 27894044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27894044 | 10.1016/j.ejmech.2016.11.019 | Unchecked | 4 |
| 27894044 | 10.1016/j.ejmech.2016.11.019 | Vascular endothelial growth factor receptor 2 | 1 |
| 27894044 | 10.1016/j.ejmech.2016.11.019 | VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta) | 1 |
Data from ChEMBL 36 via Core Engine