Compound Detail
CHEMBL92530
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Basic Information
| ChEMBL ID | CHEMBL92530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCGRPZYMHYKYHQ-AWEZNQCLSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
1.37
ALogP
7
HBA
4
HBD
149.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.7
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Plasminogen CHEMBL3204 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 5.21 | 5.21 | 6200.0 | 1 |
| Vitamin K-dependent protein C CHEMBL4444 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 2.0 | nM | 8.7 | Binding affinity against serine protease Coagulation factor X | 10509929 |
| Plasminogen | IC50 | = | 11.0 | nM | 7.96 | Inhibitory activity against plasmin in rat | 10509929 |
| Prothrombin | Ki | = | 2000.0 | nM | 5.7 | Binding affinity against thrombin | 10509929 |
| Plasminogen | Ki | = | 6200.0 | nM | 5.21 | Binding affinity against plasmin | 10509929 |
| Vitamin K-dependent protein C | Ki | = | 18000.0 | nM | 4.75 | Binding affinity against activated protein C (APC) | 10509929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Plasminogen | 2 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Coagulation factor X | 1 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Prothrombin | 1 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Serine protease 1 | 1 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Vitamin K-dependent protein C | 1 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Tissue-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine