Compound Detail
CHEMBL299169
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Basic Information
| ChEMBL ID | CHEMBL299169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDYFSJLRMHFOPK-KBPBESRZSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
1.11
ALogP
4
HBA
3
HBD
86.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.66 | 7.66 | 22.0 | 2 |
| Neprilysin CHEMBL1944 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 7.09 | 7.09 | 82.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 22.0 | nM | 7.66 | Inhibition of Angiotensin I converting enzyme | - |
| Angiotensin-converting enzyme | IC50 | = | 22.0 | nM | 7.66 | In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung... | 8558518 |
| Angiotensin-converting enzyme | IC50 | = | 22.0 | nM | 7.66 | In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isola... | 9925736 |
| Neprilysin | IC50 | = | 82.0 | nM | 7.09 | Inhibition of Neutral Endopeptidase (NEP) | - |
| Neprilysin | IC50 | = | 82.0 | nM | 7.09 | In vitro inhibition of purified rat kidney Neutral endopeptidase. | 8558518 |
| Neprilysin | IC50 | = | 82.0 | nM | 7.09 | In vitro inhibitory activity against purified rat kidney neutral endopeptidase (... | 9925736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80373-5 | Neprilysin | 1 |
| - | 10.1016/S0960-894X(01)80373-5 | Angiotensin-converting enzyme | 1 |
| - | 10.1016/S0960-894X(01)80373-5 | Rattus norvegicus | 1 |
| 8558518 | 10.1021/jm950677a | Neprilysin | 1 |
| 8558518 | 10.1021/jm950677a | Angiotensin-converting enzyme | 1 |
| 8558518 | 10.1021/jm950677a | Rattus norvegicus | 1 |
| 9925736 | 10.1021/jm980542f | Angiotensin-converting enzyme | 1 |
| 9925736 | 10.1021/jm980542f | Neprilysin | 1 |
| 9925736 | 10.1021/jm980542f | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine