Compound Detail
CHEMBL3953227
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Basic Information
| ChEMBL ID | CHEMBL3953227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMSNCGZZXLXFCS-JLHYYAGUSA-N |
2
Targets
5
Activities
2
Assay Types
12
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
5.70
ALogP
6
HBA
2
HBD
97.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.89
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.89 | 8.3533 | 1.3 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | Ki | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 430683.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 237784.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 49120.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 203860.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 165586.72 | nM | Mus musculus |
| Cmax | 138161.15 | nM | Mus musculus |
| Cmax | 20967.43 | nM | Mus musculus |
| Cmax | 109379.37 | nM | Mus musculus |
| T1/2 | 39.3 | hr | Mus musculus |
| T1/2 | 5.3 | hr | Mus musculus |
| T1/2 | 3.1 | hr | Mus musculus |
| T1/2 | 1.9 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1.3 | nM | 8.89 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 5.2 | nM | 8.28 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
| NON-PROTEIN TARGET | IC50 | = | 13.0 | nM | 7.89 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| Fibroblast growth factor receptor 1 | Ki | = | 14.0 | nM | 7.85 | Inhibition of human phosphorylated FGFR1 L457V/C488A/C584S mutant expressed in b... | - |
Data from ChEMBL 36 via Core Engine