Compound Detail
CHEMBL317059
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Basic Information
| ChEMBL ID | CHEMBL317059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMWNPSRVBDCXMR-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
502.4
MW (Da)
2.87
ALogP
7
HBA
3
HBD
97.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 560.0 | nM | 6.25 | Inhibitory activity against thrombin IIa | 12873514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12873514 | 10.1016/s0960-894x(03)00506-7 | Prothrombin | 1 |
| 12873514 | 10.1016/s0960-894x(03)00506-7 | Homo sapiens | 1 |
| 12873514 | 10.1016/s0960-894x(03)00506-7 | Serine protease 1 | 1 |
| 12873514 | 10.1016/s0960-894x(03)00506-7 | Tissue-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine