Compound Detail
CHEMBL176243
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Basic Information
| ChEMBL ID | CHEMBL176243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKNLDUVCXUEIJO-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
1
PK Parameters
10
Publications
0
Known Names
Molecular Properties
470.4
MW (Da)
5.32
ALogP
4
HBA
3
HBD
98.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Ki 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.22 | 9.22 | 0.6 | 2 |
| Coagulation factor X CHEMBL244 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Plasma kallikrein CHEMBL2000 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 1.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.6 | nM | 9.22 | In vitro inhibitory activity against Coagulation factor X | 15013007 |
| Coagulation factor X | Ki | = | 0.6 | nM | 9.22 | Inhibition of factor 10a | 20503967 |
| Coagulation factor X | IC50 | = | 0.9 | nM | 9.05 | In vitro inhibitory activity against coagulation factor X. | 15013007 |
| Plasma kallikrein | IC50 | = | 500.0 | nM | 6.3 | Inhibitory activity against kallikrein | 15013007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Coagulation factor X | 2 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Prothrombin | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Tissue-type plasminogen activator | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Serine protease 1 | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Vitamin K-dependent protein C | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Plasminogen | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Homo sapiens | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Rattus norvegicus | 1 |
| 15013007 | 10.1016/j.bmcl.2003.11.080 | Plasma kallikrein | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine