Compound Detail
CHEMBL2152090
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Basic Information
| ChEMBL ID | CHEMBL2152090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZTJFZPMDNYCQU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
2.89
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase CHEMBL2730 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Protein-glutamine gamma-glutamyltransferase K CHEMBL2810 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Coagulation factor XIII A chain CHEMBL4530 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Protein-glutamine gamma-glutamyltransferase 6 CHEMBL2079852 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4.0 | hr | Mus musculus |
| T1/2 | 6.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 280.0 | nM | 6.55 | Inhibition of human TGM2 | 24900540 |
| Protein-glutamine gamma-glutamyltransferase K | IC50 | = | 910.0 | nM | 6.04 | Inhibition of human TGM1 | 24900540 |
| Coagulation factor XIII A chain | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human factor-13A | 24900540 |
| Protein-glutamine gamma-glutamyltransferase 6 | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of human TGM6 | 24900540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900540 | 10.1021/ml3001352 | Plasma | 2 |
| 24900540 | 10.1021/ml3001352 | Protein-glutamine gamma-glutamyltransferase | 1 |
| 24900540 | 10.1021/ml3001352 | Protein-glutamine gamma-glutamyltransferase K | 1 |
| 24900540 | 10.1021/ml3001352 | Protein-glutamine gamma-glutamyltransferase E | 1 |
| 24900540 | 10.1021/ml3001352 | Protein-glutamine gamma-glutamyltransferase 6 | 1 |
| 24900540 | 10.1021/ml3001352 | Coagulation factor XIII A chain | 1 |
| 24900540 | 10.1021/ml3001352 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine