Compound Detail
CHEMBL1201405
MOEXIPRILAT 🧪 Phase II
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🧪 Phase II
COc1cc2c(cc1OC)CN(C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)O)[C@H](C(=O)O)C2
Basic Information
| ChEMBL ID | CHEMBL1201405 |
| Name | MOEXIPRILAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CMPAGYDKASJORH-YSSFQJQWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
4
Known Names
Molecular Properties
470.5
MW (Da)
2.11
ALogP
6
HBA
3
HBD
125.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 3.0 | nM | 8.52 | Inhibition of angiotensin-converting enzyme (unknown origin) | 27690430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine