Compound Detail
CHEMBL138409
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Basic Information
| ChEMBL ID | CHEMBL138409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOMCZBWSLMIJTB-QXEWZRGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
1.56
ALogP
6
HBA
3
HBD
119.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 0.6 | nM | 9.22 | Compound was tested for inhibitory activity against angiotensin I converting enz... | 1992145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992145 | 10.1021/jm00105a066 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine