Compound Detail
CHEMBL556775
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Basic Information
| ChEMBL ID | CHEMBL556775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAECTPHMLICALY-IJDFPQMLSA-N |
| Parent Compound | CHEMBL1196379 |
| Active Moiety | CHEMBL1196379 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
0.98
ALogP
4
HBA
2
HBD
100.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 25000.0 | nM | 4.6 | Concentration required to inhibit the activity of Angiotensin I converting enzym... | 6173481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6173481 | 10.1021/jm00140a010 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine