Compound Detail
CHEMBL159757
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N=C(N)c1cccc(-c2noc(CO)c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL159757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNSWPSOIKQUFMX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
491.5
MW (Da)
2.68
ALogP
7
HBA
5
HBD
185.4
PSA (Ų)
0.19
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.5 | nM | 9.3 | Inhibition of human Coagulation factor X | 10782664 |
| Serine protease 1 | Ki | = | 50.0 | nM | 7.3 | Inhibitory activity against trypsin | 10782664 |
| Prothrombin | Ki | = | 1900.0 | nM | 5.72 | 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