Compound Detail
CHEMBL431
SPIRAPRIL 💊 Approved Drug
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💊 Approved Drug
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2
Basic Information
| ChEMBL ID | CHEMBL431 |
| Name | SPIRAPRIL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | HRWCVUIFMSZDJS-SZMVWBNQSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL579 |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
20
Publications
2
Known Names
1
Indications
Molecular Properties
466.6
MW (Da)
2.39
ALogP
7
HBA
2
HBD
95.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1994 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Indications
Cardiovascular Diseases
ATC Classification
C09AA11
spirapril
Level 1: CARDIOVASCULAR SYSTEM
Level 2: AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 67.0 | nM | 7.17 | Compound tested in vitro for inhibition of Angiotensin I converting enzyme | 2544729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2544729 | 10.1021/jm00127a033 | Angiotensin-converting enzyme | 5 |
| 2836590 | 10.1021/jm00401a014 | Rattus norvegicus | 3 |
| 1992145 | 10.1021/jm00105a066 | No relevant target | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(3) dopamine receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Amine oxidase [flavin-containing] A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| 22197392 | 10.1016/j.bmcl.2011.12.005 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine