Compound Detail
CHEMBL290284
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Basic Information
| ChEMBL ID | CHEMBL290284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWIKUJFVCXNPLG-LYKKTTPLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
2.25
ALogP
5
HBA
3
HBD
106.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Angiotensin I converting enzyme | 2983076 |
| Angiotensin-converting enzyme | IC50 | = | 9.8 | nM | 8.01 | Inhibition of Angiotensin I converting enzyme in rat | 2995670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2983076 | 10.1021/jm00381a021 | Angiotensin-converting enzyme | 1 |
| 2995670 | 10.1021/jm00148a024 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine