Compound Detail
CHEMBL89533
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Basic Information
| ChEMBL ID | CHEMBL89533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWWQUDACQHLHAI-SJORKVTESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
1.05
ALogP
5
HBA
3
HBD
127.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 5.4 | nM | 8.27 | Inhibition of Angiotensin I converting enzyme | 10698448 |
| Neprilysin | IC50 | = | 18.0 | nM | 7.75 | Inhibition of Neutral endopeptidase | 10698448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10698448 | 10.1016/s0960-894x(99)00671-x | Angiotensin-converting enzyme | 1 |
| 10698448 | 10.1016/s0960-894x(99)00671-x | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine