Compound Detail
CHEMBL3594309
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Basic Information
| ChEMBL ID | CHEMBL3594309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWJBKWASHCYSFJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
4.25
ALogP
5
HBA
4
HBD
109.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor VII/tissue factor CHEMBL2095194 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor VII/tissue factor | Ki | = | 10000.0 | nM | 5.0 | Inhibition of human recombinant TF/F7a complex using S2288 as substrate preincub... | 26151189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26151189 | 10.1021/acs.jmedchem.5b00788 | Coagulation factor VII/tissue factor | 1 |
Data from ChEMBL 36 via Core Engine