Compound Detail
CHEMBL436235
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
C[C@H]1ON=C(c2cccc(C(=N)N)c2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL436235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MADZMQMBPVBDFK-SPLOXXLWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
2.66
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 3 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1.8 | nM | 8.74 | Inhibition of human Coagulation factor X | 10782664 |
| Serine protease 1 | Ki | = | 110.0 | nM | 6.96 | Inhibitory activity against trypsin | 10782664 |
| Prothrombin | Ki | = | 4500.0 | nM | 5.35 | Inhibitory activity against thrombin | 10782664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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