Compound Detail
CHEMBL47058
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Basic Information
| ChEMBL ID | CHEMBL47058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHBSOTRRIAYMOD-IUCAKERBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
-1.41
ALogP
9
HBA
5
HBD
220.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acetylated-alpha-linked acidic dipeptidase 2 CHEMBL2609 | Ki | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acetylated-alpha-linked acidic dipeptidase 2 | Ki | = | 5.3 | nM | 8.28 | In vitro inhibitory activity against human Glutamate carboxypeptidase II by usin... | 15027864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027864 | 10.1021/jm0306226 | N-acetylated-alpha-linked acidic dipeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine