Compound Detail
CHEMBL3343302
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Basic Information
| ChEMBL ID | CHEMBL3343302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKWVWKUNUXQZFW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
4.22
ALogP
5
HBA
1
HBD
61.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 4.94 | 4.94 | 11600.0 | 1 |
| Prothrombin CHEMBL4471 | Ki | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 11600.0 | nM | 4.94 | Inhibition of human factor10a assessed as reduction in hydrolysis of chromogenic... | 25268757 |
| Prothrombin | Ki | = | 31000.0 | nM | 4.51 | Inhibition of bovine thrombin assessed as reduction in hydrolysis of chromogenic... | 25268757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25268757 | 10.1021/jm5010754 | Prothrombin | 1 |
| 25268757 | 10.1021/jm5010754 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine