Compound Detail
CHEMBL366643
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Basic Information
| ChEMBL ID | CHEMBL366643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSAOWFOCNKFJSR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.03
ALogP
4
HBA
3
HBD
112.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 19.0 | nM | 7.72 | Inhibition of Coagulation factor II | 10230612 |
| Unchecked | Ki | = | 3000.0 | nM | 5.52 | Inhibition of factor Xa | 10230612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10230612 | 10.1016/s0960-894x(99)00113-4 | Prothrombin | 1 |
| 10230612 | 10.1016/s0960-894x(99)00113-4 | Serine protease 1 | 1 |
| 10230612 | 10.1016/s0960-894x(99)00113-4 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine