Compound Detail
CHEMBL378657
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL378657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEWBVTHVYJHWAH-QHCPKHFHSA-N |
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
585.7
MW (Da)
0.26
ALogP
7
HBA
8
HBD
233.4
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 10 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 8.74 | 8.74 | 1.8 | 2 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 5.77 | 5.77 | 1700.0 | 2 |
| Plasminogen CHEMBL1801 | Ki | 5.3 | 5.3 | 5000.0 | 2 |
| Prothrombin CHEMBL204 | Ki | 5.22 | 5.22 | 6000.0 | 2 |
| Coagulation factor X CHEMBL244 | Ki | 5.02 | 5.02 | 9500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein | Ki | = | 1.8 | nM | 8.74 | Inhibition of matriptase | 16821772 |
| Suppressor of tumorigenicity 14 protein | Ki | = | 1.8 | nM | 8.74 | Inhibition of matriptase | 19250826 |
| Urokinase-type plasminogen activator | Ki | = | 1700.0 | nM | 5.77 | Inhibition of uPA | 16821772 |
| Urokinase-type plasminogen activator | Ki | = | 1700.0 | nM | 5.77 | Inhibition of uPA | 19250826 |
| Plasminogen | Ki | = | 5000.0 | nM | 5.3 | Inhibition of plasmin | 16821772 |
| Plasminogen | Ki | = | 5000.0 | nM | 5.3 | Inhibition of plasmin | 19250826 |
| Prothrombin | Ki | = | 6000.0 | nM | 5.22 | Inhibition of thrombin | 16821772 |
| Prothrombin | Ki | = | 6000.0 | nM | 5.22 | Inhibition of thrombin | 19250826 |
| Coagulation factor X | Ki | = | 9500.0 | nM | 5.02 | Inhibition of f10a | 16821772 |
| Coagulation factor X | Ki | = | 9500.0 | nM | 5.02 | Inhibition of factor 10a | 19250826 |
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 |
| 19250826 | 10.1016/j.bmcl.2009.02.047 | Urokinase-type plasminogen activator | 1 |
| 19250826 | 10.1016/j.bmcl.2009.02.047 | Plasminogen | 1 |
| 19250826 | 10.1016/j.bmcl.2009.02.047 | Suppressor of tumorigenicity 14 protein | 1 |
| 19250826 | 10.1016/j.bmcl.2009.02.047 | Coagulation factor X | 1 |
| 19250826 | 10.1016/j.bmcl.2009.02.047 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine