Compound Detail
CHEMBL138787
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Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3onc(N)c3c2)n1
Basic Information
| ChEMBL ID | CHEMBL138787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMAFNPQQRAPSHH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
3.47
ALogP
8
HBA
3
HBD
159.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.85 | 8.85 | 1.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 26.0 | % | Canis lupus familiaris |
| T1/2 | 2.8 | hr | Canis lupus familiaris |
| T1/2 | 3.2 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1.4 | nM | 8.85 | Inhibitory activity against Coagulation factor X (FXa) | 14521405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521405 | 10.1021/jm020578e | Canis familiaris | 4 |
| 14521405 | 10.1021/jm020578e | No relevant target | 2 |
| 14521405 | 10.1021/jm020578e | Coagulation factor X | 1 |
| 14521405 | 10.1021/jm020578e | Prothrombin | 1 |
| 14521405 | 10.1021/jm020578e | Trypsin | 1 |
| 14521405 | 10.1021/jm020578e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine