Compound Detail
CHEMBL211794
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Cc1c(C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCN=C(N)N)CC2)c(C)c2c1OC(C)(C)C2
Basic Information
| ChEMBL ID | CHEMBL211794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDZDOEGGWHUFAN-DEOSSOPVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
640.8
MW (Da)
0.83
ALogP
7
HBA
5
HBD
210.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 6.14 | 6.14 | 730.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 4.99 | 4.99 | 10200.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein | Ki | = | 730.0 | nM | 6.14 | Inhibition of matriptase | 16821772 |
| Prothrombin | Ki | = | 3000.0 | nM | 5.52 | Inhibition of thrombin | 16821772 |
| Plasminogen | Ki | = | 10200.0 | nM | 4.99 | Inhibition of plasmin | 16821772 |
| Urokinase-type plasminogen activator | Ki | = | 25000.0 | nM | 4.6 | Inhibition of uPA | 16821772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821772 | 10.1021/jm051272l | Coagulation factor X | 1 |
| 16821772 | 10.1021/jm051272l | Prothrombin | 1 |
| 16821772 | 10.1021/jm051272l | Plasminogen | 1 |
| 16821772 | 10.1021/jm051272l | Urokinase-type plasminogen activator | 1 |
| 16821772 | 10.1021/jm051272l | Suppressor of tumorigenicity 14 protein | 1 |
Data from ChEMBL 36 via Core Engine