Compound Detail
CHEMBL424545
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Basic Information
| ChEMBL ID | CHEMBL424545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFAAKBBANQLWSZ-MXVIHJGJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
2.45
ALogP
5
HBA
3
HBD
89.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.33 | 7.33 | 47.0 | 2 |
| Serine protease 1 CHEMBL209 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 47.0 | nM | 7.33 | Binding affinity towards thrombin was evaluated | 9871547 |
| Prothrombin | Ki | = | 47.0 | nM | 7.33 | Binding affinity against human thrombin | - |
| Serine protease 1 | Ki | = | 2200.0 | nM | 5.66 | Binding affinity against human trypsin | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871547 | 10.1016/s0960-894x(98)00117-6 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine