Compound Detail
CHEMBL85757
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Basic Information
| ChEMBL ID | CHEMBL85757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQBGESKCQRRAQW-AWEZNQCLSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
1.66
ALogP
6
HBA
3
HBD
129.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Coagulation factor X CHEMBL3656 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 5.06 | 5.06 | 8700.0 | 1 |
| Vitamin K-dependent protein C CHEMBL4444 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 26.0 | nM | 7.58 | Binding affinity against serine protease factor Xa (fXa) | 10509929 |
| Coagulation factor X | Ki | = | 26.0 | nM | 7.58 | In vitro evaluation of inhibitory activity against Coagulation factor X in proth... | 10498204 |
| Serine protease 1 | Ki | = | 2900.0 | nM | 5.54 | Binding affinity against trypsin | 10509929 |
| Tissue-type plasminogen activator | Ki | = | 8700.0 | nM | 5.06 | Binding affinity against tissue plasminogen activator (t-Pa) | 10509929 |
| Vitamin K-dependent protein C | Ki | = | 12000.0 | nM | 4.92 | Binding affinity against activated protein C (APC) | 10509929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498204 | 10.1016/s0960-894x(99)00421-7 | Unchecked | 5 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Coagulation factor X | 1 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Prothrombin | 1 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Serine protease 1 | 1 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Vitamin K-dependent protein C | 1 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Plasminogen | 1 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Tissue-type plasminogen activator | 1 |
| 10498204 | 10.1016/s0960-894x(99)00421-7 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine