Compound Detail
CHEMBL513671
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Basic Information
| ChEMBL ID | CHEMBL513671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMXGKCCFGMLSRA-SKDRFNHKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.3
MW (Da)
2.82
ALogP
4
HBA
3
HBD
66.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL5786 | IC50 | 7.82 | 7.015 | 15.1 | 2 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 15.14 | nM | 7.82 | Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 p... | 19042128 |
| Angiotensin-converting enzyme | IC50 | = | 280.0 | nM | 6.55 | Inhibition of angiotensin-converting enzyme in whole blood by HPLC | 19042128 |
| Leukotriene A-4 hydrolase | IC50 | = | 610.0 | nM | 6.21 | 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