Compound Detail
CHEMBL3965452
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Basic Information
| ChEMBL ID | CHEMBL3965452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZQAKNXOFLTLSW-JLHYYAGUSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
5.13
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1328.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 9531.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 5077.94 | nM | Mus musculus |
| Cmax | 20083.08 | nM | Mus musculus |
| T1/2 | 4.5 | hr | Mus musculus |
| T1/2 | 1.3 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1.5 | nM | 8.82 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine