Compound Detail
CHEMBL129432
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Basic Information
| ChEMBL ID | CHEMBL129432 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DBKNLHKEVPZVQC-LPEHRKFASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
-2.05
ALogP
5
HBA
5
HBD
177.1
PSA (Ų)
0.19
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 16000.0 | nM | 4.8 | Inhibition against ACE. | 7966160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966160 | 10.1021/jm00049a019 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine