Compound Detail
CHEMBL100296
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Basic Information
| ChEMBL ID | CHEMBL100296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYZQZZRAPZQXLG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
2.88
ALogP
4
HBA
2
HBD
97.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL3769 | Ki | 5.46 | 5.46 | 3440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 3440.0 | nM | 5.46 | Inhibition constant against bovine trypsin | 6219223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6219223 | 10.1021/jm00356a036 | Plasminogen | 1 |
| 6219223 | 10.1021/jm00356a036 | Urokinase-type plasminogen activator | 1 |
| 6219223 | 10.1021/jm00356a036 | Prothrombin | 1 |
| 6219223 | 10.1021/jm00356a036 | Serine protease 1 | 1 |
| 6219223 | 10.1021/jm00356a036 | HEp-2 | 1 |
Data from ChEMBL 36 via Core Engine