Compound Detail
CHEMBL347388
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 | CHEMBL347388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPHPDJQYQOXIEP-RITPCOANSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
1.17
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 9.54 | 9.54 | 0.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 0.29 | nM | 9.54 | In vitro inhibitory activity was evaluated against angiotensin converting enzyme... | - |
| Unchecked | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of NDM1 (unknown origin) | 38242072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38242072 | 10.1016/j.ejmech.2024.116140 | Escherichia coli | 8 |
| - | 10.1016/S0960-894X(01)81155-0 | Angiotensin-converting enzyme | 1 |
| 38242072 | 10.1016/j.ejmech.2024.116140 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine