Compound Detail
CHEMBL3343303
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Basic Information
| ChEMBL ID | CHEMBL3343303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDLIHPNLMSFXEE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.9
MW (Da)
3.98
ALogP
7
HBA
2
HBD
90.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 4.74 | 4.74 | 18300.0 | 1 |
| Prothrombin CHEMBL4471 | Ki | 4.53 | 4.53 | 29800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 18300.0 | nM | 4.74 | Inhibition of human factor10a assessed as reduction in hydrolysis of chromogenic... | 25268757 |
| Prothrombin | Ki | = | 29800.0 | nM | 4.53 | 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