Compound Detail
CHEMBL55056
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Basic Information
| ChEMBL ID | CHEMBL55056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMEIMAMBOMCYSX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
0.33
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.76 | 6.415 | 17.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 1.6 | nM | 8.8 | Inhibition of [3H]Ala2-Leu-enkephalin binding to Neutral endopeptidase (NEP) | 2900898 |
| Unchecked | IC50 | = | 17.5 | nM | 7.76 | Inhibition of [3H]Leu-enkephalin binding to Dipeptidyl aminopeptidase (DAP) | 2900898 |
| Unchecked | IC50 | = | 8600.0 | nM | 5.07 | Inhibition of [3H]Leu-enkephalin binding to aminopeptidase | 2900898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2900898 | 10.1021/jm00117a025 | Unchecked | 2 |
| 2900898 | 10.1021/jm00117a025 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine