Compound Detail
CHEMBL346561
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Basic Information
| ChEMBL ID | CHEMBL346561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANWXKCAWLVVCJP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.00
ALogP
4
HBA
1
HBD
74.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.7 | 7.49 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 20.0 | nM | 7.7 | In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme... | 2981324 |
| Angiotensin-converting enzyme | IC50 | = | 52.0 | nM | 7.28 | In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme... | 2981324 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2981324 | 10.1021/jm00379a013 | Angiotensin-converting enzyme | 3 |
Data from ChEMBL 36 via Core Engine