Compound Detail
CHEMBL358439
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Basic Information
| ChEMBL ID | CHEMBL358439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWVWNDUVOWLFFV-RQJHMYQMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
-0.88
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 5.62 | 5.62 | 2400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of Angiotensin I converting enzyme | 8340909 |
| Angiotensin-converting enzyme | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom | 12477342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8340909 | 10.1021/jm00067a001 | Angiotensin-converting enzyme | 1 |
| 12477342 | 10.1021/jm020424z | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine