Compound Detail
CHEMBL152276
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Basic Information
| ChEMBL ID | CHEMBL152276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWTCKWGXIDHDEF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.52
ALogP
4
HBA
3
HBD
96.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.34 | 9.34 | 0.5 | 1 |
| Trypsin CHEMBL2095204 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.46 | nM | 9.34 | Binding affinity against human coagulation factor X | 11170646 |
| Trypsin | Ki | = | 100.0 | nM | 7.0 | In vitro activity against human trypsin. | 11170646 |
| Prothrombin | Ki | = | 450.0 | nM | 6.35 | In vitro activity against human thrombin. | 11170646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170646 | 10.1021/jm000409z | Coagulation factor X | 1 |
| 11170646 | 10.1021/jm000409z | Prothrombin | 1 |
| 11170646 | 10.1021/jm000409z | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine