Compound Detail
CHEMBL90741
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Basic Information
| ChEMBL ID | CHEMBL90741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWOKJHQJMHGXMV-ZDUSSCGKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
464.0
MW (Da)
2.31
ALogP
6
HBA
3
HBD
129.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 31.0 | nM | 7.51 | Binding affinity against serine protease factor Xa (fXa) | 10509929 |
| Prothrombin | Ki | = | 3100.0 | nM | 5.51 | Binding affinity against thrombin | 10509929 |
| Plasminogen | Ki | = | 5800.0 | nM | 5.24 | Binding affinity against plasmin | 10509929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | Plasminogen | 1 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Tissue-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine