Compound Detail
CHEMBL182597
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL182597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILRJJEMRKWAJMZ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
454.0
MW (Da)
3.93
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.0 | 9.0 | 1.0 | 2 |
| Prothrombin CHEMBL204 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1.0 | nM | 9.0 | Inhibitory activity against coagulation factor Xa | 15261268 |
| Coagulation factor X | Ki | = | 1.0 | nM | 9.0 | Inhibition of factor 10a | 20503967 |
| Prothrombin | IC50 | = | 20.0 | nM | 7.7 | Concentration required for 50% inhibition of dilute prothrombin time | 15261268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261268 | 10.1016/j.bmcl.2004.06.020 | Prothrombin | 3 |
| 15261268 | 10.1016/j.bmcl.2004.06.020 | Coagulation factor X | 1 |
| 15261268 | 10.1016/j.bmcl.2004.06.020 | Serine protease 1 | 1 |
| 15261268 | 10.1016/j.bmcl.2004.06.020 | Kallikrein-1 | 1 |
| 15261268 | 10.1016/j.bmcl.2004.06.020 | Tissue-type plasminogen activator | 1 |
| 15261268 | 10.1016/j.bmcl.2004.06.020 | Tissue factor | 1 |
| 15261268 | 10.1016/j.bmcl.2004.06.020 | ADMET | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine