Compound Detail
CHEMBL157479
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N/C(=N\O)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL157479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVPCSDBGVOOVDK-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
-1.01
ALogP
7
HBA
6
HBD
183.2
PSA (Ų)
0.11
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 4.21 | 4.21 | 61000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 61000.0 | nM | 4.21 | In vitro inhibition of plasminogen activator urokinase. | 11844691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Urokinase-type plasminogen activator | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Plasminogen | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Serine protease 1 | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Prothrombin | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine