Compound Detail
CHEMBL67904
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Basic Information
| ChEMBL ID | CHEMBL67904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHGACLDVPATXEG-STQMWFEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
1.56
ALogP
5
HBA
3
HBD
130.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 96.0 | nM | 7.02 | In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippu... | 3336020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3336020 | 10.1021/jm00396a033 | Rattus norvegicus | 2 |
| 3336020 | 10.1021/jm00396a033 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine