Compound Detail
CHEMBL356123
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Basic Information
| ChEMBL ID | CHEMBL356123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWCQSDVJQDHIPZ-KBPBESRZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.6
MW (Da)
2.24
ALogP
5
HBA
4
HBD
95.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 1.5 | nM | 8.82 | Evaluation of in vitro inhibitory activity against Neutral endopeptidase | 8544178 |
| Angiotensin-converting enzyme | IC50 | = | 18.0 | nM | 7.75 | Evaluation of in vitro inhibitory activity against Angiotensin I converting enzy... | 8544178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8544178 | 10.1021/jm00026a009 | Angiotensin-converting enzyme | 5 |
| 8544178 | 10.1021/jm00026a009 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine