Compound Detail
CHEMBL82343
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Basic Information
| ChEMBL ID | CHEMBL82343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSGCVKOBJBNXBT-JQWIXIFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
0.72
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 20000.0 | nM | 4.7 | Inhibitory activity against rabbit lung angiotensin-converting enzyme(ACE) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00441-U | Leukotriene A-4 hydrolase | 1 |
| - | 10.1016/0960-894X(95)00441-U | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine