Compound Detail
CHEMBL322894
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Basic Information
| ChEMBL ID | CHEMBL322894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTVLYGCXMPDWGW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
1.95
ALogP
2
HBA
2
HBD
54.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL4471 | Ki | 4.37 | 4.37 | 42800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 42800.0 | nM | 4.37 | Inhibition constant against bovine thrombin | 6219223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6219223 | 10.1021/jm00356a036 | Plasminogen | 1 |
| 6219223 | 10.1021/jm00356a036 | Urokinase-type plasminogen activator | 1 |
| 6219223 | 10.1021/jm00356a036 | Prothrombin | 1 |
| 6219223 | 10.1021/jm00356a036 | Serine protease 1 | 1 |
| 6219223 | 10.1021/jm00356a036 | HEp-2 | 1 |
Data from ChEMBL 36 via Core Engine