Compound Detail
CHEMBL280420
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Basic Information
| ChEMBL ID | CHEMBL280420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJDAYGPSIZTEGR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
1.69
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 15.0 | nM | 7.82 | In vitro inhibition of Angiotensin I converting enzyme | 6310112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6310112 | 10.1021/jm00363a011 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine