Compound Detail
CHEMBL417007
LBQ-657 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL417007 |
| Name | LBQ-657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOBNVUFHFMVMDB-BEFAXECRSA-N |
4
Targets
5
Activities
2
Assay Types
1
PK Parameters
7
Publications
3
Known Names
Molecular Properties
383.4
MW (Da)
3.36
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Activity Summary
IC50 4 meas. best 8.3
Ki 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Neprilysin CHEMBL1944 | IC50 | 8.22 | 7.96 | 6.0 | 2 |
| Neprilysin/Angiotensin-converting enzyme CHEMBL6066554 | Ki | 8.2 | 8.2 | 6.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 21.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 5.0 | nM | 8.3 | In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate | 7752193 |
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Enzyme NEP Inhibition Assay: The assays were performed in 384-well white opaque ... | - |
| Neprilysin | IC50 | = | 6.0 | nM | 8.22 | Inhibition of recombinant human NEP expressed in insect cells preincubated for 1... | 32071687 |
| Neprilysin/Angiotensin-converting enzyme | Ki | = | 6.31 | nM | 8.2 | Enzyme Inhibition Assay: The assays were performed in 384-well white opaque plat... | - |
| Neprilysin | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human NEP using MCA-RPPGFSAFK-Dnp-OH as substrate by fluorescence ... | 32337993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 7752193 | 10.1021/jm00010a014 | Neprilysin | 1 |
| 32071687 | 10.1021/acsmedchemlett.9b00578 | Neprilysin | 1 |
| 32337993 | 10.1021/acs.jmedchem.0c00441 | Neprilysin | 1 |
| 32337993 | 10.1021/acs.jmedchem.0c00441 | Angiotensin-converting enzyme | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 31759729 | 10.1016/j.ejmech.2019.111852 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine