Compound Detail
CHEMBL67804
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 | CHEMBL67804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOGIIFUJUNBTAR-STQMWFEESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
1.02
ALogP
5
HBA
3
HBD
86.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 6.27 | 6.27 | 535.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 61.0 | nM | 7.21 | In vitro inhibition of angiotensin converting enzyme isolated from rat lung. | - |
| Neprilysin | IC50 | = | 535.0 | nM | 6.27 | In vitro inhibition of Neutral Endopeptidase isolated from rat kidney. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80070-0 | Neprilysin | 1 |
| - | 10.1016/S0960-894X(00)80070-0 | Angiotensin-converting enzyme | 1 |
| - | 10.1016/S0960-894X(00)80070-0 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine