Compound Detail
CHEMBL3409890
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Basic Information
| ChEMBL ID | CHEMBL3409890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVAZUTSKLWJRFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.9
MW (Da)
5.37
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 23.0 | nM | 7.64 | Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated f... | 25839438 |
| Prothrombin | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of human thrombin using acromogenic substrate S-2238 preincubated for... | 25839438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25839438 | 10.1016/j.ejmech.2015.03.052 | Coagulation factor X | 1 |
| 25839438 | 10.1016/j.ejmech.2015.03.052 | Prothrombin | 1 |
| 25839438 | 10.1016/j.ejmech.2015.03.052 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine