Compound Detail
CHEMBL79303
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Basic Information
| ChEMBL ID | CHEMBL79303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPCHETUIUZUTRF-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
436.4
MW (Da)
3.06
ALogP
7
HBA
4
HBD
159.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.51 | 8.46 | 3.1 | 2 |
| Serine protease 1 CHEMBL3769 | Ki | 6.82 | 6.67 | 150.0 | 2 |
| Prothrombin CHEMBL204 | Ki | 6.31 | 6.135 | 490.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 3.1 | nM | 8.51 | Inhibitory constant against human coagulation factor Xa (fXa) | 12036356 |
| Coagulation factor X | Ki | = | 3.9 | nM | 8.41 | Inhibitory potency was measured against human coagulation factor X | 9733480 |
| Serine protease 1 | Ki | = | 150.0 | nM | 6.82 | Inhibitory constant against bovine trypsin for general specificity against serin... | 12036356 |
| Serine protease 1 | Ki | = | 300.0 | nM | 6.52 | Inhibitory potency was measured against bovine trypsin. | 9733480 |
| Prothrombin | Ki | = | 490.0 | nM | 6.31 | Inhibitory constant against human coagulation factor II (thrombin) for selectivi... | 12036356 |
| Prothrombin | Ki | = | 1100.0 | nM | 5.96 | Inhibitory potency was measured against human thrombin | 9733480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9733480 | 10.1021/jm980280h | Coagulation factor X | 1 |
| 9733480 | 10.1021/jm980280h | Prothrombin | 1 |
| 9733480 | 10.1021/jm980280h | Serine protease 1 | 1 |
| 12036356 | 10.1021/jm0200660 | Coagulation factor X | 1 |
| 12036356 | 10.1021/jm0200660 | Prothrombin | 1 |
| 12036356 | 10.1021/jm0200660 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine