Compound Detail
CHEMBL39812
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 | CHEMBL39812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPWOGFCBUYWSSQ-NSHDSACASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.2
MW (Da)
0.88
ALogP
3
HBA
4
HBD
106.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Neprilysin CHEMBL1944 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity was assessed on CHO cells expressing recombinant human Endot... | 9554884 |
| Neprilysin | IC50 | = | 26000.0 | nM | 4.58 | Inhibitory activity against neutral endopeptidase (NEP). | 9554884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554884 | 10.1021/jm970787c | Endothelin-converting enzyme 1 | 1 |
| 9554884 | 10.1021/jm970787c | Neprilysin | 1 |
| 9554884 | 10.1021/jm970787c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine