Compound Detail
CHEMBL3677673
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C[C@H](C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1cc(C(=O)O)n[nH]1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3677673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIAHQIQESNFCRN-ACJLOTCBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.9
MW (Da)
3.88
ALogP
4
HBA
4
HBD
132.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 10.52 | 10.52 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 0.03 | nM | 10.52 | Fluorescence Lifetime-Based Assay: See A fluorescence lifetime-based assay for p... | - |
| Neprilysin | IC50 | = | 0.03 | nM | 10.52 | Fluorescence Lifetime-Based Assay: The activity of a compound according to the p... | - |
Data from ChEMBL 36 via Core Engine