Compound Detail
CHEMBL3677665
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C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cccc(C(=O)O)c1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3677665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXDCBPLMHAFCCH-HXOBKFHXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
4.50
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 6.55 | 6.55 | 283.0 | 2 |
| Membrane metallo-endopeptidase-like 1 CHEMBL3638356 | IC50 | 6.55 | 6.55 | 283.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Membrane metallo-endopeptidase-like 1 | IC50 | = | 283.0 | nM | 6.55 | Inhibition Assay: Recombinant human neutral endopeptidase (expressed in insect c... | - |
| Neprilysin | IC50 | = | 283.0 | nM | 6.55 | Fluorescence Lifetime-Based Assay: See A fluorescence lifetime-based assay for p... | - |
| Neprilysin | IC50 | = | 283.0 | nM | 6.55 | Fluorescence Lifetime-Based Assay: The activity of a compound according to the p... | - |
Data from ChEMBL 36 via Core Engine