Compound Detail
CHEMBL441491
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Basic Information
| ChEMBL ID | CHEMBL441491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKHMYCKSUJUSEE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
145.2
MW (Da)
-0.24
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 5.72 | 5.72 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 1900.0 | nM | 5.72 | In vitro inhibition of Angiotensin I converting enzyme activity in rabbit lung | 3009814 |
| Angiotensin-converting enzyme | IC50 | = | 1900.0 | nM | 5.72 | In vitro inhibition of Angiotensin I converting enzyme activity at pH 8.5 in rab... | 3009814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3009814 | 10.1021/jm00155a032 | Angiotensin-converting enzyme | 2 |
Data from ChEMBL 36 via Core Engine