Compound Detail
CHEMBL17107
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Basic Information
| ChEMBL ID | CHEMBL17107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVBPRTLYHQOKRI-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
266.2
MW (Da)
-0.45
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.46 | 5.64 | 3.5 | 3 |
| Neprilysin CHEMBL3369 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Neprilysin CHEMBL3768 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Neprilysin CHEMBL1944 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 1.0 | nM | 9.0 | Inhibitory activity against rabbit kidney aminopeptidase using 10 nM of [3H]Leu-... | 3897541 |
| Unchecked | IC50 | = | 3.5 | nM | 8.46 | Inhibitory activity against rat brain Dipeptidyl aminopeptidase using 10 nM of [... | 3897541 |
| Neprilysin | IC50 | = | 12.0 | nM | 7.92 | In vitro inhibition of enkephalinase purified from rat kidney. | 3897541 |
| Neprilysin | IC50 | = | 12.0 | nM | 7.92 | Inhibition of [3H]Ala2-Leu-enkephalin binding to Neutral endopeptidase (NEP) | 2900898 |
| Neprilysin | IC50 | = | 15.0 | nM | 7.82 | Inhibitory potency against neutral endopeptidase | 1348542 |
| Unchecked | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of [3H]Leu-enkephalin binding to Dipeptidyl aminopeptidase (DAP) | 2900898 |
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of [3H]Leu-enkephalin binding to aminopeptidase | 2900898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2900898 | 10.1021/jm00117a025 | Unchecked | 2 |
| 3897541 | 10.1021/jm00147a007 | Neprilysin | 1 |
| 3897541 | 10.1021/jm00147a007 | Unchecked | 1 |
| 3897541 | 10.1021/jm00147a007 | Aminopeptidase N | 1 |
| 1348542 | 10.1021/jm00085a013 | Neprilysin | 1 |
| 2900898 | 10.1021/jm00117a025 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine