Compound Detail
CHEMBL3986951
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Basic Information
| ChEMBL ID | CHEMBL3986951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGSADYOQKXJXSV-SDNWHVSQSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
0
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
5.56
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4744.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 9408.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 2131.05 | nM | Mus musculus |
| Cmax | 4632.52 | nM | Mus musculus |
| T1/2 | 4.9 | hr | Mus musculus |
| T1/2 | 3.2 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6.3 | nM | 8.2 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine