Compound Detail
CHEMBL400734
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Basic Information
| ChEMBL ID | CHEMBL400734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQBDNZQCKOXVTI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
5.12
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 6.91 | 6.91 | 124.0 | 1 |
| Trypsin CHEMBL2095204 | Ki | 5.72 | 5.72 | 1899.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 124.0 | nM | 6.91 | Inhibition of human factor 10a | 18159923 |
| Trypsin | Ki | = | 1899.0 | nM | 5.72 | Inhibition of human trypsin | 18159923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18159923 | 10.1021/jm701217r | Unchecked | 1 |
| 18159923 | 10.1021/jm701217r | Coagulation factor X | 1 |
| 18159923 | 10.1021/jm701217r | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine