Compound Detail
CHEMBL239118
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CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C(Cc2ccc(NC(=N)N)cc2)NS(C)(=O)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL239118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCHBHKJDHVVTJT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
602.6
MW (Da)
3.68
ALogP
8
HBA
6
HBD
201.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Plasminogen CHEMBL1801 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 5.63 | 5.63 | 2350.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 3.5 | nM | 8.46 | Inhibition of human uPA | 18052026 |
| Plasminogen | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human plasmin | 18052026 |
| Prothrombin | IC50 | = | 2350.0 | nM | 5.63 | Inhibition of human thrombin | 18052026 |
| Tissue-type plasminogen activator | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of human recombinant tPA | 18052026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052026 | 10.1021/jm700962j | Unchecked | 3 |
| 18052026 | 10.1021/jm700962j | Urokinase-type plasminogen activator | 2 |
| 18052026 | 10.1021/jm700962j | Tissue-type plasminogen activator | 1 |
| 18052026 | 10.1021/jm700962j | Plasminogen | 1 |
| 18052026 | 10.1021/jm700962j | Prothrombin | 1 |
| 18052026 | 10.1021/jm700962j | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine