Compound Detail
CHEMBL1770541
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Basic Information
| ChEMBL ID | CHEMBL1770541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMTHKUIIZITEFW-KPKJPENVSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.1
MW (Da)
3.06
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.25
Ki 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase CHEMBL2730 | IC50 | 6.25 | 5.785 | 560.0 | 2 |
| Protein-glutamine gamma-glutamyltransferase CHEMBL2730 | Ki | 6.17 | 5.845 | 680.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 560.0 | nM | 6.25 | Inhibition of human transglutaminase 2 using ZGBC as a substrate after 30 to 60 ... | 21215619 |
| Protein-glutamine gamma-glutamyltransferase | Ki | = | 680.0 | nM | 6.17 | Inhibition of human transglutaminase 2 using ZGBC as a substrate after 30 to 60 ... | 21215619 |
| Protein-glutamine gamma-glutamyltransferase | Ki | = | 3000.0 | nM | 5.52 | Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-c... | 21215619 |
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-c... | 21215619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21215619 | 10.1016/j.bmcl.2010.12.037 | Protein-glutamine gamma-glutamyltransferase | 4 |
Data from ChEMBL 36 via Core Engine