Compound Detail
CHEMBL174456
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Basic Information
| ChEMBL ID | CHEMBL174456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URSRZNMIPYZUNU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.41
ALogP
3
HBA
2
HBD
75.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 18.0 | nM | 7.75 | Inhibition of Coagulation factor II | 10230612 |
| Unchecked | Ki | = | 10300.0 | nM | 4.99 | 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 |
| 10230612 | 10.1016/s0960-894x(99)00113-4 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine