Compound Detail
CHEMBL4227629
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Basic Information
| ChEMBL ID | CHEMBL4227629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADAYUMKBMCKPHP-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
2.46
ALogP
5
HBA
2
HBD
94.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase CHEMBL2730 | Ki | 4.19 | 4.19 | 64300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-glutamine gamma-glutamyltransferase | Ki | = | 64300.0 | nM | 4.19 | Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate meas... | 29664627 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29664627 | 10.1021/acs.jmedchem.8b00286 | Protein-glutamine gamma-glutamyltransferase | 1 |
Data from ChEMBL 36 via Core Engine