Compound Detail
CHEMBL3953534
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Basic Information
| ChEMBL ID | CHEMBL3953534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWNYUHMSFMVGDS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
0.13
ALogP
7
HBA
1
HBD
95.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase CHEMBL2730 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 18000.0 | nM | 4.75 | TGM2 Inhibitory Activity Assay: 2 ul of a solution of different concentrations o... | - |
Data from ChEMBL 36 via Core Engine