Compound Detail
CHEMBL140072
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Basic Information
| ChEMBL ID | CHEMBL140072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPYBKEFBMJIVEB-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
3.19
ALogP
6
HBA
4
HBD
165.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.82 | 9.82 | 0.1 | 3 |
| Coagulation factor X CHEMBL5062 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 25.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| T1/2 | 4.3 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.15 | nM | 9.82 | Inhibitory activity against Coagulation factor X (FXa) | 14521405 |
| Coagulation factor X | Ki | = | 0.15 | nM | 9.82 | Inhibition of human Coagulation factor X | 10782664 |
| Coagulation factor X | Ki | = | 0.15 | nM | 9.82 | Inhibition of factor 10a | 20503967 |
| Coagulation factor X | Ki | = | 0.4 | nM | 9.4 | Inhibitory activity against rabbit Coagulation factor X | 10782664 |
| Serine protease 1 | Ki | = | 21.0 | nM | 7.68 | Inhibitory activity against trypsin | 10782664 |
| Prothrombin | Ki | = | 2000.0 | nM | 5.7 | Inhibitory activity against thrombin | 10782664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10782664 | 10.1016/s0960-894x(00)00097-4 | Canis familiaris | 3 |
| 10782664 | 10.1016/s0960-894x(00)00097-4 | Coagulation factor X | 2 |
| 14521405 | 10.1021/jm020578e | 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 |
| 10782664 | 10.1016/s0960-894x(00)00097-4 | Oryctolagus cuniculus | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine