Compound Detail
CHEMBL1744317
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Basic Information
| ChEMBL ID | CHEMBL1744317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHVNTSIMKDQBGS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL279051 |
| Active Moiety | CHEMBL279051 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.47
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 30.0 | nM | 7.52 | 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