Compound Detail
CHEMBL190022
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Basic Information
| ChEMBL ID | CHEMBL190022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVEWIDVUDOCYLN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
2.67
ALogP
9
HBA
1
HBD
122.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XIII A chain CHEMBL4530 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Protein-glutamine gamma-glutamyltransferase K CHEMBL2810 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XIII A chain | IC50 | = | 110.0 | nM | 6.96 | In vitro inhibitory concentration of compound against factor XIIIa | 15801818 |
| Protein-glutamine gamma-glutamyltransferase K | IC50 | = | 6200.0 | nM | 5.21 | Inhibitory concentration against guinea pig liver transglutaminase | 15801818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801818 | 10.1021/jm049221w | Coagulation factor XIII A chain | 2 |
| 15801818 | 10.1021/jm049221w | Protein-glutamine gamma-glutamyltransferase K | 1 |
| 15801818 | 10.1021/jm049221w | Unchecked | 1 |
| 15801818 | 10.1021/jm049221w | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine