Compound Detail
CHEMBL182975
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Basic Information
| ChEMBL ID | CHEMBL182975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZYLKYFEFKEDRG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
455.0
MW (Da)
4.88
ALogP
6
HBA
1
HBD
63.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.81
Ki 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 40.0 | nM | 7.4 | Inhibitory activity against serine protease factor Xa | 15261269 |
| Prothrombin | IC50 | = | 1550.0 | nM | 5.81 | Inhibitory concentration in dilute prothrombin time assay | 15261269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261269 | 10.1016/j.bmcl.2004.06.019 | Prothrombin | 3 |
| 15261269 | 10.1016/j.bmcl.2004.06.019 | Coagulation factor X | 1 |
| 15261269 | 10.1016/j.bmcl.2004.06.019 | Trypsin | 1 |
| 15261269 | 10.1016/j.bmcl.2004.06.019 | Kallikrein-1 | 1 |
| 15261269 | 10.1016/j.bmcl.2004.06.019 | Tissue-type plasminogen activator | 1 |
| 15261269 | 10.1016/j.bmcl.2004.06.019 | Tissue factor | 1 |
Data from ChEMBL 36 via Core Engine