Compound Detail
CHEMBL3952496
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Basic Information
| ChEMBL ID | CHEMBL3952496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMNQEFXKDFGFNN-FYWRMAATSA-N |
4
Targets
6
Activities
2
Assay Types
6
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
5.61
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.1
Ki 3 meas. best 10.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 10.34 | 10.34 | 0.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 9.1 | 8.4867 | 0.8 | 3 |
| Tyrosine-protein kinase Lck CHEMBL258 | Ki | 7.28 | 7.28 | 53.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | Ki | 7.19 | 7.19 | 65.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 8384.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 19899.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 7343.25 | nM | Mus musculus |
| Cmax | 9059.82 | nM | Mus musculus |
| T1/2 | 2.0 | hr | Mus musculus |
| T1/2 | 5.0 | 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 | Ki | = | 0.046 | nM | 10.34 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 0.8 | nM | 9.1 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 5.5 | nM | 8.26 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
| NON-PROTEIN TARGET | IC50 | = | 8.0 | nM | 8.1 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| Tyrosine-protein kinase Lck | Ki | = | 53.0 | nM | 7.28 | Inhibition of N-terminal truncated form of phosphorylated LCK P233M/C224D mutant... | - |
| Fibroblast growth factor receptor 1 | Ki | = | 65.0 | nM | 7.19 | Inhibition of human phosphorylated FGFR1 L457V/C488A/C584S mutant expressed in b... | - |
Data from ChEMBL 36 via Core Engine