Compound Detail
CHEMBL79189
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Basic Information
| ChEMBL ID | CHEMBL79189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDGPVPYTXHNOSO-SKDRFNHKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
1.59
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 7.75 | 7.725 | 18.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 18.0 | nM | 7.75 | Inhibition of angiotensin-converting enzyme (unknown origin) | 27690430 |
| Angiotensin-converting enzyme | IC50 | = | 19.95 | nM | 7.7 | Inhibitory activity against angiotensin converting enzyme (ACE) | 8360884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 1 |
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine