Compound Detail
CHEMBL3931953
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Basic Information
| ChEMBL ID | CHEMBL3931953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAUWKRYRSAXLGI-SDNWHVSQSA-N |
3
Targets
5
Activities
2
Assay Types
3
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
5.43
ALogP
6
HBA
3
HBD
95.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.96
Ki 2 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 9.96 | 8.7367 | 0.1 | 3 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | Ki | 7.04 | 7.04 | 92.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4818.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 7631.04 | nM | Mus musculus |
| T1/2 | 1.4 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 0.11 | nM | 9.96 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| Vascular endothelial growth factor receptor 2 | Ki | = | 0.83 | nM | 9.08 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 5.1 | nM | 8.29 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
| NON-PROTEIN TARGET | IC50 | = | 11.0 | nM | 7.96 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| Fibroblast growth factor receptor 1 | Ki | = | 92.0 | nM | 7.04 | Inhibition of human phosphorylated FGFR1 L457V/C488A/C584S mutant expressed in b... | - |
Data from ChEMBL 36 via Core Engine