Compound Detail
CHEMBL174791
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(=N)N(C)CCN(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
Basic Information
| ChEMBL ID | CHEMBL174791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOISQJMTOKEJSD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
5.25
ALogP
5
HBA
3
HBD
101.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 1.1 | nM | 8.96 | In vitro inhibitory activity against coagulation factor X. | 15013007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Coagulation factor X | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Prothrombin | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Tissue-type plasminogen activator | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Serine protease 1 | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Vitamin K-dependent protein C | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine