Compound Detail
CHEMBL20912
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Basic Information
| ChEMBL ID | CHEMBL20912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTSAAOMVOZMPMU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
0.58
ALogP
4
HBA
5
HBD
134.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 12000.0 | nM | 4.92 | Binding affinity against human coagulation factor Xa | 11266180 |
| Serine protease 1 | Ki | = | 14000.0 | nM | 4.85 | Inhibitory concentration against bovine trypsin | 11881991 |
| Serine protease 1 | Ki | = | 23000.0 | nM | 4.64 | Binding affinity against human trypsin | 11266180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881991 | 10.1021/jm010944e | Serine protease 1 | 1 |
| 11266180 | 10.1016/s0960-894x(01)00042-7 | Coagulation factor X | 1 |
| 11266180 | 10.1016/s0960-894x(01)00042-7 | Serine protease 1 | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine