Compound Detail
CHEMBL96917
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Basic Information
| ChEMBL ID | CHEMBL96917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOGKYTKBSDBMTL-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
2.51
ALogP
2
HBA
3
HBD
78.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | Ki | 4.26 | 4.26 | 55000.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 55000.0 | nM | 4.26 | ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA). | 11495587 |
| Serine protease 1 | Ki | = | 55000.0 | nM | 4.26 | Compound was tested against Human Serine Protease Trypsin | 11495587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11495587 | 10.1021/jm0100638 | Urokinase-type plasminogen activator | 1 |
| 11495587 | 10.1021/jm0100638 | Tissue-type plasminogen activator | 1 |
| 11495587 | 10.1021/jm0100638 | Coagulation factor X | 1 |
| 11495587 | 10.1021/jm0100638 | Prothrombin | 1 |
| 11495587 | 10.1021/jm0100638 | Plasminogen | 1 |
| 11495587 | 10.1021/jm0100638 | Serine protease 1 | 1 |
| 11412977 | 10.1016/s0960-894x(01)00024-5 | KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) | 1 |
Data from ChEMBL 36 via Core Engine