Compound Detail
CHEMBL461655
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)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3)c2)C(=O)N2CCC(CCN)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL461655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIBQTLNUGOHWIX-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
533.7
MW (Da)
3.11
ALogP
5
HBA
4
HBD
142.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.25 | 7.25 | 56.0 | 1 |
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 7.0 | 6.98 | 100.0 | 2 |
| Plasminogen CHEMBL1801 | Ki | 6.26 | 6.26 | 550.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 5.27 | 5.27 | 5400.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 56.0 | nM | 7.25 | Inhibition of thrombin | 19036586 |
| Suppressor of tumorigenicity 14 protein | Ki | = | 100.0 | nM | 7.0 | Inhibition Assay: Inhibition assay using matriptase enzyme | - |
| Suppressor of tumorigenicity 14 protein | Ki | = | 110.0 | nM | 6.96 | Inhibition of matriptase | 19036586 |
| Plasminogen | Ki | = | 550.0 | nM | 6.26 | Inhibition of plasmin | 19036586 |
| Coagulation factor X | Ki | = | 5400.0 | nM | 5.27 | Inhibition of factor 10a | 19036586 |
| Urokinase-type plasminogen activator | Ki | = | 8300.0 | nM | 5.08 | Inhibition of uPA | 19036586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19036586 | 10.1016/j.bmcl.2008.11.019 | Suppressor of tumorigenicity 14 protein | 1 |
| 19036586 | 10.1016/j.bmcl.2008.11.019 | Plasminogen | 1 |
| 19036586 | 10.1016/j.bmcl.2008.11.019 | Urokinase-type plasminogen activator | 1 |
| 19036586 | 10.1016/j.bmcl.2008.11.019 | Prothrombin | 1 |
| 19036586 | 10.1016/j.bmcl.2008.11.019 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine