Compound Detail
CHEMBL36081
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Basic Information
| ChEMBL ID | CHEMBL36081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQEZCZNIPDHDLS-KSCSMHSMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
0.71
ALogP
6
HBA
3
HBD
114.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL1907 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Aminopeptidase B CHEMBL2836 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of Aminopeptidase M. | - |
| Aminopeptidase B | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of Aminopeptidase B in murine L-cells by Aoyagi method. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80519-9 | Aminopeptidase B | 1 |
| - | 10.1016/S0960-894X(01)80519-9 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine