Compound Detail
CHEMBL268225
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Nc1cc(C2=NOC(Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl
Basic Information
| ChEMBL ID | CHEMBL268225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWMQLCDSIBPQFB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
554.0
MW (Da)
1.82
ALogP
11
HBA
3
HBD
193.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.15 | 7.55 | 7.1 | 3 |
| Prothrombin CHEMBL204 | Ki | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 7.1 | nM | 8.15 | Inhibitory activity against factor Xa using human purified enzyme. | 12643903 |
| Coagulation factor X | Ki | = | 10.0 | nM | 8.0 | Inhibitory activity against factor Xa using human purified enzyme. | 12643903 |
| Coagulation factor X | Ki | = | 320.0 | nM | 6.5 | Inhibitory activity against factor Xa using human purified enzyme. | 12643903 |
| Prothrombin | Ki | = | 19000.0 | nM | 4.72 | Inhibitory activity against thrombin 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