Compound Detail
CHEMBL505455
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
CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccco3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL505455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQDYQUZLQVWWMF-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
5.23
ALogP
5
HBA
5
HBD
158.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen CHEMBL1801 | IC50 | 9.79 | 9.79 | 0.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.43 | 9.43 | 0.4 | 1 |
| Coagulation factor X CHEMBL244 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Prothrombin CHEMBL204 | IC50 | 7.83 | 7.83 | 14.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasminogen | IC50 | = | 0.163 | nM | 9.79 | Inhibition of plasmin | 19409795 |
| Unchecked | IC50 | = | 0.37 | nM | 9.43 | Inhibition of trypsin | 19409795 |
| Coagulation factor X | IC50 | = | 1.3 | nM | 8.89 | Inhibition of factor 10a | 19409795 |
| Prothrombin | IC50 | = | 14.67 | nM | 7.83 | Inhibition of thrombin | 19409795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19409795 | 10.1016/j.bmc.2009.04.013 | Unchecked | 5 |
| 19409795 | 10.1016/j.bmc.2009.04.013 | Coagulation factor VII/tissue factor | 1 |
| 19409795 | 10.1016/j.bmc.2009.04.013 | Plasminogen | 1 |
| 19409795 | 10.1016/j.bmc.2009.04.013 | Coagulation factor X | 1 |
| 19409795 | 10.1016/j.bmc.2009.04.013 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine