Compound Detail
CHEMBL597079
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Basic Information
| ChEMBL ID | CHEMBL597079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLFCVWOEQRFJRE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
3.76
ALogP
3
HBA
0
HBD
33.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase CHEMBL3308976 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 320.0 | nM | 6.5 | Inhibition of guinea pig liver transglutaminase | 20053561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20053561 | 10.1016/j.bmcl.2009.12.011 | Protein-glutamine gamma-glutamyltransferase | 1 |
Data from ChEMBL 36 via Core Engine