Compound Detail
CHEMBL3676150
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Basic Information
| ChEMBL ID | CHEMBL3676150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBGYPMPWJWNWEA-QGZVFWFLSA-N |
2
Targets
4
Activities
1
Assay Types
7
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.8
MW (Da)
3.37
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Membrane metallo-endopeptidase-like 1 CHEMBL3638356 | IC50 | 9.7 | 9.2067 | 0.2 | 3 |
| Neprilysin CHEMBL1944 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3403.22 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 5.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 29.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 3.0 | mL.min-1.kg-1 | Macaca mulatta |
| T1/2 | 0.8 | hr | Rattus norvegicus |
| T1/2 | 0.8 | hr | Canis lupus familiaris |
| T1/2 | 4.0 | hr | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Membrane metallo-endopeptidase-like 1 | IC50 | = | 0.2 | nM | 9.7 | Inhibition Assay: Recombinant human neutral endopeptidase (expressed in insect c... | - |
| Membrane metallo-endopeptidase-like 1 | IC50 | = | 1.1 | nM | 8.96 | Inhibition Assay: Recombinant human neutral endopeptidase (expressed in insect c... | - |
| Membrane metallo-endopeptidase-like 1 | IC50 | = | 1.1 | nM | 8.96 | Inhibition Assay: Recombinant human neutral endopeptidase (expressed in insect c... | - |
| Neprilysin | IC50 | = | 1.5 | nM | 8.82 | Inhibition of recombinant human NEP expressed in insect cells preincubated for 1... | 32071687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32071687 | 10.1021/acsmedchemlett.9b00578 | ADMET | 8 |
| 32071687 | 10.1021/acsmedchemlett.9b00578 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine