Compound Detail
CHEMBL114018
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Basic Information
| ChEMBL ID | CHEMBL114018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUVMFCUCGBZZPS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.3
MW (Da)
3.87
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 0.1 | nM | 10.0 | In vitro inhibitory activity against Angiotensin I converting enzyme | 2983075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2983075 | 10.1021/jm00381a012 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine