Compound Detail
CHEMBL301729
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(C2=NOC(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1
Basic Information
| ChEMBL ID | CHEMBL301729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZLKLAYGGJRRDH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
2.42
ALogP
6
HBA
4
HBD
160.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.14 | 8.14 | 7.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 7.2 | nM | 8.14 | Binding affinity against the Factor Xa (FXa) | 12729667 |
| Coagulation factor X | Ki | = | 7.2 | nM | 8.14 | Inhibitory activity against Coagulation factor X (FXa) | 14521405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729667 | 10.1016/s0960-894x(03)00130-6 | Coagulation factor X | 1 |
| 14521405 | 10.1021/jm020578e | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine