Compound Detail
CHEMBL166718
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Basic Information
| ChEMBL ID | CHEMBL166718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZFMDGRCXDEKOK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
1.99
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.58 | 7.325 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 26.0 | nM | 7.58 | In vitro inhibition of Angiotensin I converting enzyme activity at pH 8.5 in rab... | 3009814 |
| Angiotensin-converting enzyme | IC50 | = | 85.0 | nM | 7.07 | In vitro inhibition of Angiotensin I converting enzyme activity in rabbit lung | 3009814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3009814 | 10.1021/jm00155a032 | Angiotensin-converting enzyme | 2 |
| 3009814 | 10.1021/jm00155a032 | Angiotensin II receptor (AT-1) type-1 | 2 |
| 3009814 | 10.1021/jm00155a032 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine