Compound Detail
CHEMBL3277922
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Basic Information
| ChEMBL ID | CHEMBL3277922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAIITVIVBYYQJK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3305034 |
| Active Moiety | CHEMBL3305034 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
532.2
MW (Da)
4.94
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL4471 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Glandular kallikrein CHEMBL3243909 | Ki | 6.15 | 6.15 | 710.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 160.0 | nM | 6.8 | Inhibition of amidase activity of bovine thrombin using BPVANA as substrate afte... | 1271404 |
| Glandular kallikrein | Ki | = | 710.0 | nM | 6.15 | Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to ... | 1271404 |
| Unchecked | Ki | = | 1100.0 | nM | 5.96 | Inhibition of bovine trypsin using BANA as substrate after 15 to 30 mins | 1271404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1271404 | 10.1021/jm00227a011 | Plasma | 3 |
| 1271404 | 10.1021/jm00227a011 | Prothrombin | 1 |
| 1271404 | 10.1021/jm00227a011 | Glandular kallikrein | 1 |
| 1271404 | 10.1021/jm00227a011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine