Compound Detail
CHEMBL267387
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
Nc1cc(C2=NOC(Cn3cccn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl
Basic Information
| ChEMBL ID | CHEMBL267387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAZSSIWQOHGUHM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
552.0
MW (Da)
3.03
ALogP
9
HBA
3
HBD
167.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.85 | 7.21 | 14.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 14.0 | nM | 7.85 | Inhibitory activity against factor Xa using human purified enzyme. | 12643903 |
| Coagulation factor X | Ki | = | 15.0 | nM | 7.82 | Inhibitory activity against factor Xa using human purified enzyme. | 12643903 |
| Coagulation factor X | Ki | = | 1100.0 | nM | 5.96 | Inhibitory activity against factor Xa using human purified enzyme. | 12643903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Coagulation factor X | 3 |
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Prothrombin | 3 |
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Serine protease 1 | 3 |
Data from ChEMBL 36 via Core Engine