Compound Detail
CHEMBL3676155
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Basic Information
| ChEMBL ID | CHEMBL3676155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBIYMMZPQYOOJC-QGZVFWFLSA-N |
2
Targets
4
Activities
1
Assay Types
6
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.72
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Membrane metallo-endopeptidase-like 1 CHEMBL3638356 | IC50 | 7.42 | 7.4067 | 38.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.42 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 3.42 | mL.min-1.g-1 | Homo sapiens |
| CL | 11.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 66.0 | % | Rattus norvegicus |
| T1/2 | 2.5 | hr | Rattus norvegicus |
| Vd | 0.2 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 25.0 | nM | 7.6 | Inhibition of recombinant human NEP expressed in insect cells preincubated for 1... | 32071687 |
| Membrane metallo-endopeptidase-like 1 | IC50 | = | 38.0 | nM | 7.42 | Inhibition Assay: Recombinant human neutral endopeptidase (expressed in insect c... | - |
| Membrane metallo-endopeptidase-like 1 | IC50 | = | 38.0 | nM | 7.42 | Inhibition Assay: Recombinant human neutral endopeptidase (expressed in insect c... | - |
| Membrane metallo-endopeptidase-like 1 | IC50 | = | 42.0 | nM | 7.38 | Inhibition Assay: Recombinant human neutral endopeptidase (expressed in insect c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32071687 | 10.1021/acsmedchemlett.9b00578 | ADMET | 9 |
| 32071687 | 10.1021/acsmedchemlett.9b00578 | Neprilysin | 1 |
| 32071687 | 10.1021/acsmedchemlett.9b00578 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine