Compound Detail
CHEMBL7967
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CC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(=N)N)c2)=NO1
Basic Information
| ChEMBL ID | CHEMBL7967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTULADZJJBGGRF-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
2.81
ALogP
6
HBA
4
HBD
160.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.14 | 8.05 | 7.2 | 2 |
| Serine protease 1 CHEMBL3769 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.24 | 5.24 | 5800.0 | 1 |
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 | Inhibitory activity against factor Xa using human purified enzyme. | 12643903 |
| Coagulation factor X | Ki | = | 11.0 | nM | 7.96 | Inhibition of human Coagulation factor X | 10782664 |
| Serine protease 1 | Ki | = | 120.0 | nM | 6.92 | Inhibitory activity against trypsin | 10782664 |
| Prothrombin | Ki | = | 5800.0 | nM | 5.24 | Inhibitory activity against thrombin | 10782664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Coagulation factor X | 1 |
| 10782664 | 10.1016/s0960-894x(00)00097-4 | Coagulation factor X | 1 |
| 10782664 | 10.1016/s0960-894x(00)00097-4 | Prothrombin | 1 |
| 10782664 | 10.1016/s0960-894x(00)00097-4 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine