Compound Detail
CHEMBL3972400
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Basic Information
| ChEMBL ID | CHEMBL3972400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULXFPIMGCKOHSH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
-0.63
ALogP
7
HBA
1
HBD
109.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase CHEMBL2730 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 12000.0 | nM | 4.92 | TGM2 Inhibitory Activity Assay: 2 ul of a solution of different concentrations o... | - |
Data from ChEMBL 36 via Core Engine