Compound Detail
CHEMBL104211
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Basic Information
| ChEMBL ID | CHEMBL104211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTCHEYWURWFAME-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
5.75
ALogP
4
HBA
3
HBD
92.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 7.28 | 7.28 | 53.0 | 1 |
| Kallikrein-1 CHEMBL2319 | Ki | 7.16 | 7.16 | 69.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 11.0 | nM | 7.96 | Binding affinity against trypsin | 15149645 |
| Urokinase-type plasminogen activator | Ki | = | 40.0 | nM | 7.4 | Binding affinity towards Urokinase-type plasminogen activator (urokinase) | 15149645 |
| Plasminogen | Ki | = | 53.0 | nM | 7.28 | Binding affinity against plasmin | 15149645 |
| Kallikrein-1 | Ki | = | 69.0 | nM | 7.16 | Binding affinity towards P-kallikrein | 15149645 |
| Prothrombin | Ki | = | 120.0 | nM | 6.92 | Binding affinity against thrombin | 15149645 |
| Tissue-type plasminogen activator | Ki | = | 3300.0 | nM | 5.48 | Binding affinity towards tissue type plasminogen activator | 15149645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149645 | 10.1016/s0960-894x(04)00530-x | Urokinase-type plasminogen activator | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Kallikrein-1 | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Tissue-type plasminogen activator | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Serine protease 1 | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Plasminogen | 1 |
| 15149645 | 10.1016/s0960-894x(04)00530-x | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine