Compound Detail
CHEMBL277919
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Basic Information
| ChEMBL ID | CHEMBL277919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPQDCFVLHOKHOW-ZETCQYMHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
229.2
MW (Da)
0.32
ALogP
3
HBA
2
HBD
94.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom | 12477342 |
| Angiotensin-converting enzyme | IC50 | = | 70000.0 | nM | 4.16 | In vitro inhibition of angiotensin I converting enzyme (ACE) | 6310113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477342 | 10.1021/jm020424z | Angiotensin-converting enzyme | 1 |
| 6310113 | 10.1021/jm00363a012 | Angiotensin-converting enzyme | 1 |
| 26883147 | 10.1016/j.bmcl.2016.02.007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine