Compound Detail
CHEMBL1770520
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Basic Information
| ChEMBL ID | CHEMBL1770520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUSQNUFEMYXUOO-DHZHZOJOSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.2
MW (Da)
4.21
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Ki 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase CHEMBL2730 | IC50 | 7.05 | 6.575 | 90.0 | 2 |
| Protein-glutamine gamma-glutamyltransferase CHEMBL2730 | Ki | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human transglutaminase 2 using ZGBC as a substrate after 30 to 60 ... | 21215619 |
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-c... | 21215619 |
| Protein-glutamine gamma-glutamyltransferase | Ki | = | 47000.0 | nM | 4.33 | Non-competitive inhibition of recombinant human TG2 V224 mutant deamidation acti... | 26004580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26004580 | 10.1016/j.bmcl.2015.05.006 | Protein-glutamine gamma-glutamyltransferase | 4 |
| 21215619 | 10.1016/j.bmcl.2010.12.037 | Protein-glutamine gamma-glutamyltransferase | 3 |
Data from ChEMBL 36 via Core Engine