Compound Detail
CHEMBL3981871
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Basic Information
| ChEMBL ID | CHEMBL3981871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RARPTZXQXCPSPS-WPWMEQJKSA-N |
1
Targets
3
Activities
1
Assay Types
6
PK Parameters
0
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
4.73
ALogP
5
HBA
2
HBD
92.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.72 | 8.34 | 1.9 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1636.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 11361.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 985.07 | nM | Mus musculus |
| Cmax | 6081.16 | nM | Mus musculus |
| T1/2 | 3.0 | hr | Mus musculus |
| T1/2 | 2.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1.9 | nM | 8.72 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 4.4 | nM | 8.36 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
| NON-PROTEIN TARGET | IC50 | = | 11.5 | nM | 7.94 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine