Compound Detail
CHEMBL1733
QUINAPRILAT 🧪 Phase II
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🧪 Phase II
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1733 |
| Name | QUINAPRILAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FLSLEGPOVLMJMN-YSSFQJQWSA-N |
1
Targets
4
Activities
1
Assay Types
8
PK Parameters
20
Publications
6
Known Names
Molecular Properties
410.5
MW (Da)
2.09
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 4 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.55 | 8.0475 | 2.8 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.93 | mL.min-1.kg-1 | Homo sapiens |
| CL | - | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.93 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.93 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.32 | - | Homo sapiens |
| Fu | 0.32 | - | Homo sapiens |
| MRT | 2.3 | hr | Homo sapiens |
| T1/2 | 2.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 2.8 | nM | 8.55 | Inhibition of guinea pig angiotensin I converting enzyme | 3020249 |
| Angiotensin-converting enzyme | IC50 | = | 2.8 | nM | 8.55 | Inhibition of angiotensin-converting enzyme (unknown origin) | 27690430 |
| Angiotensin-converting enzyme | IC50 | = | 2.9 | nM | 8.54 | Compound was tested for its inhibitory potency against angiotensin I converting ... | 1995872 |
| Angiotensin-converting enzyme | IC50 | = | 280.0 | nM | 6.55 | In vitro inhibitory activity against Angiotensin I converting enzyme from unpuri... | 2993618 |
Literature References
Data from ChEMBL 36 via Core Engine