Compound Detail
CHEMBL91218
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Basic Information
| ChEMBL ID | CHEMBL91218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHGSOISSAWQQSU-GUYCJALGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
1.58
ALogP
4
HBA
5
HBD
136.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| Neprilysin CHEMBL1944 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 660.0 | nM | 6.18 | In vitro inhibitory concentration against angiotensin-converting enzyme | - |
| Neprilysin | IC50 | = | 1000.0 | nM | 6.0 | In vitro inhibitory concentration against neutral endopeptidase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80703-4 | Neprilysin | 1 |
| - | 10.1016/S0960-894X(01)80703-4 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine