Compound Detail
CHEMBL22429
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL22429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSCGJDFCNOIPDF-IKQMYLSPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.87
ALogP
4
HBA
1
HBD
83.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 11000.0 | nM | 4.96 | In vitro inhibition of angiotensin I converting enzyme (ACE) | 6310113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6310113 | 10.1021/jm00363a012 | Rattus norvegicus | 2 |
| 6310113 | 10.1021/jm00363a012 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine