Compound Detail
CHEMBL158814
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Basic Information
| ChEMBL ID | CHEMBL158814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXIQAZDBFHHAPP-QGZVFWFLSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
-0.44
ALogP
6
HBA
6
HBD
174.5
PSA (Ų)
0.20
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 7.32 | 7.32 | 48.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 48.0 | nM | 7.32 | In vitro inhibition of plasminogen activator urokinase. | 11844691 |
| Serine protease 1 | Ki | = | 110.0 | nM | 6.96 | In vitro inhibition of trypsin. | 11844691 |
| Coagulation factor X | Ki | = | 2000.0 | nM | 5.7 | In vitro inhibition of Coagulation factor Xa. | 11844691 |
| Prothrombin | Ki | = | 10000.0 | nM | 5.0 | In vitro inhibition of thrombin. | 11844691 |
| Plasminogen | Ki | = | 17000.0 | nM | 4.77 | In vitro inhibition of Plasmin. | 11844691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Urokinase-type plasminogen activator | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Plasminogen | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Serine protease 1 | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Prothrombin | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine