Compound Detail
CHEMBL73737
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Basic Information
| ChEMBL ID | CHEMBL73737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLDWWFXJFODOTC-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
377.8
MW (Da)
4.12
ALogP
4
HBA
5
HBD
124.8
PSA (Ų)
0.21
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 10.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor VII/tissue factor CHEMBL2095194 | Ki | 10.11 | 10.11 | 0.1 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 9.34 | 9.34 | 0.5 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Plasminogen CHEMBL1801 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| Prothrombin CHEMBL204 | Ki | 8.38 | 8.38 | 4.2 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor VII/tissue factor | Ki | = | 0.078 | nM | 10.11 | Binding affinity for factor VIIa/TF | 11527709 |
| Urokinase-type plasminogen activator | Ki | = | 0.46 | nM | 9.34 | Binding affinity towards urokinase-type plasminogen activator (microPa) | 11527709 |
| Coagulation factor X | Ki | = | 0.5 | nM | 9.3 | Binding affinity towards Coagulation factor X | 11527709 |
| Plasminogen | Ki | = | 3.2 | nM | 8.49 | Binding affinity towards Plasmin | 11527709 |
| Prothrombin | Ki | = | 4.2 | nM | 8.38 | Binding affinity towards Coagulation factor II | 11527709 |
| Serine protease 1 | Ki | = | 4.7 | nM | 8.33 | Binding affinity towards Trypsin | 11527709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11527709 | 10.1016/s0960-894x(01)00420-6 | Coagulation factor VII/tissue factor | 1 |
| 11527709 | 10.1016/s0960-894x(01)00420-6 | Coagulation factor X | 1 |
| 11527709 | 10.1016/s0960-894x(01)00420-6 | Prothrombin | 1 |
| 11527709 | 10.1016/s0960-894x(01)00420-6 | Plasminogen | 1 |
| 11527709 | 10.1016/s0960-894x(01)00420-6 | Serine protease 1 | 1 |
| 11527709 | 10.1016/s0960-894x(01)00420-6 | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine