Compound Detail
CHEMBL342469
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Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ncnc(N)c3c2)n1
Basic Information
| ChEMBL ID | CHEMBL342469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWZZHDCUABMZQK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
499.6
MW (Da)
3.27
ALogP
8
HBA
3
HBD
158.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 29.0 | nM | 7.54 | Inhibitory activity against Coagulation factor X (FXa) | 14521405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521405 | 10.1021/jm020578e | No relevant target | 1 |
| 14521405 | 10.1021/jm020578e | Coagulation factor X | 1 |
| 14521405 | 10.1021/jm020578e | Prothrombin | 1 |
| 14521405 | 10.1021/jm020578e | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine