Compound Detail
CHEMBL116299
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Basic Information
| ChEMBL ID | CHEMBL116299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXASIFYPGHJNIG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1180190 |
| Active Moiety | CHEMBL1180190 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
-1.87
ALogP
5
HBA
4
HBD
152.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione hydrolase 1 proenzyme CHEMBL2943 | Ki | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione hydrolase 1 proenzyme | Ki | = | 53000.0 | nM | 4.28 | Compound tested for the inhibition of Gamma-glutamyltranspeptidase in rat kidney... | 15177451 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177451 | 10.1016/j.bmcl.2004.04.072 | Glutathione hydrolase 1 proenzyme | 2 |
Data from ChEMBL 36 via Core Engine