Compound Detail
CHEMBL36809
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Basic Information
| ChEMBL ID | CHEMBL36809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHIFFVRJJVSTEC-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
3.17
ALogP
3
HBA
4
HBD
98.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Neprilysin CHEMBL1944 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 130.0 | nM | 6.89 | Inhibitory activity was assessed on CHO cells expressing recombinant human Endot... | 9554884 |
| Neprilysin | IC50 | = | 10700.0 | nM | 4.97 | 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