Compound Detail
CHEMBL348671
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
CCOC(=O)N1C/C(=C\c2ccc(C(=N)N)cc2)C(=O)/C(=C/c2ccc(C(=N)N)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL348671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWZIVIWYTGUGQA-AYKLPDECSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
2.76
ALogP
5
HBA
4
HBD
146.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL3769 | Ki | 6.9 | 6.9 | 125.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 125.0 | nM | 6.9 | In vitro inhibition of bovine trypsin(Trp). | 10639283 |
| Prothrombin | Ki | = | 3300.0 | nM | 5.48 | In vitro inhibition of human thrombin(FIIa). | 10639283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10639283 | 10.1021/jm990456v | Coagulation factor X | 1 |
| 10639283 | 10.1021/jm990456v | Prothrombin | 1 |
| 10639283 | 10.1021/jm990456v | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine