Compound Detail
CHEMBL3423195
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Basic Information
| ChEMBL ID | CHEMBL3423195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHSXBLKEPKFAKN-UONOGXRCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
1.67
ALogP
4
HBA
2
HBD
94.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XIII A chain CHEMBL4530 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Protein-glutamine gamma-glutamyltransferase CHEMBL2730 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XIII A chain | IC50 | = | 4.0 | nM | 8.4 | Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as in... | 26005023 |
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of transglutaminase 2 (unknown origin) | 26005023 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26005023 | 10.1016/j.ejmech.2015.05.019 | Coagulation factor XIII A chain | 1 |
| 26005023 | 10.1016/j.ejmech.2015.05.019 | Cathepsin S | 1 |
| 26005023 | 10.1016/j.ejmech.2015.05.019 | Unchecked | 1 |
| 26005023 | 10.1016/j.ejmech.2015.05.019 | Protein-glutamine gamma-glutamyltransferase | 1 |
Data from ChEMBL 36 via Core Engine