Compound Detail
CHEMBL4206119
UPAMOSTAT 🧪 Phase II
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🧪 Phase II
CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(/C(N)=N\O)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1
Basic Information
| ChEMBL ID | CHEMBL4206119 |
| Name | UPAMOSTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | HUASEDVYRABWCV-NDEPHWFRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
3
Known Names
3
Indications
Molecular Properties
629.8
MW (Da)
4.34
ALogP
7
HBA
3
HBD
154.6
PSA (Ų)
0.14
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Breast Neoplasms Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome
Activity Summary
Ki 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 410.0 | nM | 6.39 | Inhibition of uPA (unknown origin) | 30130401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31790578 | 10.1021/acs.jmedchem.9b01483 | Mitochondrial amidoxime-reducing component 1 | 2 |
| 31790578 | 10.1021/acs.jmedchem.9b01483 | Mitochondrial amidoxime reducing component 2 | 2 |
| 30130401 | 10.1021/acs.jmedchem.8b00838 | Homo sapiens | 1 |
| 30130401 | 10.1021/acs.jmedchem.8b00838 | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine