Compound Detail
CHEMBL5517694
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Basic Information
| ChEMBL ID | CHEMBL5517694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIMSDLRTENJSRZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
4.22
ALogP
8
HBA
1
HBD
93.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XII CHEMBL2821 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XII | IC50 | = | 56.0 | nM | 7.25 | Inhibition of FXIIa (unknown origin) using H-D-Pro-Phe-Arg-pNA as substrate incu... | 38913497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38913497 | 10.1021/acs.jmedchem.4c00475 | Coagulation factor XII | 1 |
Data from ChEMBL 36 via Core Engine