Compound Detail
CHEMBL94563
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Basic Information
| ChEMBL ID | CHEMBL94563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBHLECUKMKIADA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
1.78
ALogP
5
HBA
5
HBD
150.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 4.95 | 4.95 | 11200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1800.0 | nM | 5.75 | Inhibition of Factor Xa | - |
| Prothrombin | Ki | = | 11200.0 | nM | 4.95 | The compound was evaluated for inhibitory activity against Thrombin | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10081-6 | Coagulation factor X | 1 |
| - | 10.1016/S0960-894X(97)10081-6 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(97)10081-6 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine