Compound Detail
CHEMBL417286
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Basic Information
| ChEMBL ID | CHEMBL417286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXMFIYZCFSMHDJ-AOQUAJLESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.8
MW (Da)
2.43
ALogP
3
HBA
2
HBD
94.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 440.0 | nM | 6.36 | In vitro inhibition of angiotensin I converting enzyme (ACE) | 6310113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6310113 | 10.1021/jm00363a012 | Angiotensin-converting enzyme | 1 |
| 6310113 | 10.1021/jm00363a012 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine