Compound Detail
CHEMBL238902
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C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(NC(=N)N)cc1
Basic Information
| ChEMBL ID | CHEMBL238902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIFIGLJPDYSYDF-KBXCAEBGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
-0.41
ALogP
6
HBA
7
HBD
186.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 16.0 | nM | 7.8 | Inhibition of human uPA | 18052026 |
| Plasminogen | Ki | = | 40000.0 | nM | 4.4 | Inhibition of human plasmin | 18052026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052026 | 10.1021/jm700962j | Urokinase-type plasminogen activator | 1 |
| 18052026 | 10.1021/jm700962j | Tissue-type plasminogen activator | 1 |
| 18052026 | 10.1021/jm700962j | Plasminogen | 1 |
| 18052026 | 10.1021/jm700962j | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine