Compound Detail
CHEMBL3764790
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Basic Information
| ChEMBL ID | CHEMBL3764790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCBZRUWOOOEWBU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
4.17
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XII CHEMBL2821 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XII | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of human factor 12a using S-2302 as substrate assessed as para-nitroa... | 26827162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26827162 | 10.1016/j.ejmech.2016.01.023 | Coagulation factor XII | 2 |
| 26827162 | 10.1016/j.ejmech.2016.01.023 | Prothrombin | 1 |
| 26827162 | 10.1016/j.ejmech.2016.01.023 | Coagulation factor X | 1 |
| 26827162 | 10.1016/j.ejmech.2016.01.023 | Plasma kallikrein | 1 |
| 26827162 | 10.1016/j.ejmech.2016.01.023 | Coagulation factor VII | 1 |
| 26827162 | 10.1016/j.ejmech.2016.01.023 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine