Compound Detail
CHEMBL238707
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Basic Information
| ChEMBL ID | CHEMBL238707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYCVSPRVSFUVMA-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
515.5
MW (Da)
6.25
ALogP
6
HBA
3
HBD
123.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kallikrein-4 CHEMBL4446 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 6.71 | 6.625 | 196.0 | 2 |
| Kallikrein-8 CHEMBL4812 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
| Plasminogen CHEMBL1801 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Coagulation factor X CHEMBL244 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kallikrein-4 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of human recombinant KLK4 expressed in Escherichia coli using Bachem ... | - |
| Prothrombin | IC50 | = | 196.0 | nM | 6.71 | Inhibition of human plasma thrombin using Biophen CS-21(66) as substrate preincu... | - |
| Prothrombin | IC50 | = | 288.0 | nM | 6.54 | Inhibition of human thrombin | 18052026 |
| Kallikrein-8 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of human recombinant KLK8 expressed in Escherichia coli using Bachem ... | - |
| Plasminogen | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human plasmin | 18052026 |
| Coagulation factor X | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of factor 10a | 18052026 |
| Urokinase-type plasminogen activator | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of human uPA | 18052026 |
| Tissue-type plasminogen activator | IC50 | = | 66000.0 | nM | 4.18 | Inhibition of human recombinant tPA | 18052026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00288E | Prothrombin | 2 |
| 30571121 | 10.1021/acs.jmedchem.8b01466 | ATP-dependent Clp protease proteolytic subunit | 2 |
| 8295209 | 10.1021/jm00028a004 | Prothrombin | 2 |
| - | 10.1039/C5MD00288E | Kallikrein-4 | 2 |
| 18052026 | 10.1021/jm700962j | Urokinase-type plasminogen activator | 2 |
| - | 10.1039/C5MD00288E | Kallikrein-8 | 2 |
| 18052026 | 10.1021/jm700962j | Unchecked | 1 |
| - | 10.1039/C5MD00288E | Urokinase-type plasminogen activator | 1 |
| - | 10.1039/C5MD00288E | Kallikrein-2 | 1 |
| - | 10.1039/C5MD00288E | Kallikrein-1 | 1 |
| 18052026 | 10.1021/jm700962j | Coagulation factor X | 1 |
| 18052026 | 10.1021/jm700962j | Prothrombin | 1 |
| 18052026 | 10.1021/jm700962j | Plasminogen | 1 |
| 9632362 | 10.1021/jm970543s | Granzyme A | 1 |
| 18052026 | 10.1021/jm700962j | Tissue-type plasminogen activator | 1 |
| 8295209 | 10.1021/jm00028a004 | Serine protease 1 | 1 |
| 8295209 | 10.1021/jm00028a004 | Plasma kallikrein | 1 |
| 8295209 | 10.1021/jm00028a004 | Coagulation factor XII | 1 |
| 9632362 | 10.1021/jm970543s | Serine protease 1 | 1 |
| 9632362 | 10.1021/jm970543s | Tryptase | 1 |
Data from ChEMBL 36 via Core Engine