Compound Detail
CHEMBL457796
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Basic Information
| ChEMBL ID | CHEMBL457796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYIHSQOKHPXEQO-MFKMUULPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
1.93
ALogP
5
HBA
3
HBD
90.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL5786 | IC50 | 6.28 | 6.28 | 524.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 300.0 | nM | 6.52 | Inhibition of angiotensin-converting enzyme in whole blood by HPLC | 19042128 |
| Leukotriene A-4 hydrolase | IC50 | = | 530.0 | nM | 6.28 | Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 p... | 19042128 |
| Leukotriene A-4 hydrolase | IC50 | = | 524.81 | nM | 6.28 | Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 p... | 19042128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19042128 | 10.1016/j.bmcl.2008.11.042 | Leukotriene A-4 hydrolase | 2 |
| 19042128 | 10.1016/j.bmcl.2008.11.042 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine