Compound Detail
CHEMBL147526
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Basic Information
| ChEMBL ID | CHEMBL147526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLCDUNQMSZJEDY-HOTGVXAUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.5
MW (Da)
2.85
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.93 | 6.93 | 118.0 | 1 |
| Neprilysin CHEMBL1944 | IC50 | 6.35 | 6.35 | 445.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 118.0 | nM | 6.93 | Inhibitory concentration required to inhibit Angiotensin I converting enzyme (AC... | 9046341 |
| Neprilysin | IC50 | = | 445.0 | nM | 6.35 | Inhibitory concentration required to inhibit neutral endopeptidase (NEP) | 9046341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046341 | 10.1021/jm960583g | Neprilysin | 1 |
| 9046341 | 10.1021/jm960583g | Thermolysin | 1 |
| 9046341 | 10.1021/jm960583g | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine