Compound Detail
CHEMBL164138
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Basic Information
| ChEMBL ID | CHEMBL164138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQABUEUFRXDDFI-AWEZNQCLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
2.42
ALogP
5
HBA
4
HBD
121.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Tryptase CHEMBL2095193 | Ki | 7.06 | 7.06 | 88.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 4.91 | 4.91 | 12300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 30.0 | nM | 7.52 | Binding affinity against human alpha trypsin | 14761180 |
| Tryptase | Ki | = | 88.0 | nM | 7.06 | Binding affinity against human alpha tryptase | 14761180 |
| Prothrombin | Ki | = | 12300.0 | nM | 4.91 | Binding affinity to human thrombin | 14761180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761180 | 10.1021/jm030493t | Prothrombin | 1 |
| 14761180 | 10.1021/jm030493t | Serine protease 1 | 1 |
| 14761180 | 10.1021/jm030493t | Tryptase | 1 |
Data from ChEMBL 36 via Core Engine