Compound Detail
CHEMBL3961315
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3961315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNEHFOFHMXRLFR-SAPNQHFASA-N |
3
Targets
6
Activities
2
Assay Types
1
PK Parameters
0
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
6.78
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Ki 3 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 9.19 | 9.02 | 0.7 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.52 | 8.08 | 3.0 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | Ki | 7.81 | 7.81 | 15.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 458.86 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 0.65 | nM | 9.19 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| Vascular endothelial growth factor receptor 2 | Ki | = | 1.4 | nM | 8.85 | Inhibition of human 50 residues truncated cytoplasmic domain of phosphorylated V... | - |
| NON-PROTEIN TARGET | IC50 | = | 3.0 | nM | 8.52 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 6.3 | nM | 8.2 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
| Fibroblast growth factor receptor 1 | Ki | = | 15.4 | nM | 7.81 | Inhibition of human phosphorylated FGFR1 L457V/C488A/C584S mutant expressed in b... | - |
| NON-PROTEIN TARGET | IC50 | = | 30.0 | nM | 7.52 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine