Compound Detail
CHEMBL279737
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL279737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDGPVPYTXHNOSO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
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 | 7.75 | 18.0 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
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 guinea pig angiotensin I converting enzyme | 3020249 |
| Angiotensin-converting enzyme | IC50 | = | 290.0 | nM | 6.54 | In vitro inhibition of Angiotensin I converting enzyme | 6310112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3020249 | 10.1021/jm00160a026 | Rattus norvegicus | 2 |
| 3020249 | 10.1021/jm00160a026 | Angiotensin-converting enzyme | 1 |
| 6310112 | 10.1021/jm00363a011 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine