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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1165
CHEMBL1165
Compound Name MOEXIPRIL
ChEMBL Synonyms UNIVASC | CI 925 | MOEXIPRIL | MOEXIPRIL HYDROCHLORIDE | RS-10085-197 | SPM 925 | PERDIX | Univasc | Uniretic
Max Phase 4 (Approved)
Trade Names PERDIX | MOEXIPRIL HYDROCHLORIDE | UNIVASC
Molecular Formula C27H34N2O7

Additional synonyms for CHEMBL1165 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3cc(OC)c(OC)cc3C ...
Download SMILES
Standard InChI InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18) ...
Download InChI
Standard InChI Key UWWDHYUMIORJTA-HSQYWUDLSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1165

Molecule Features

CHEMBL1165 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Angiotensin-converting enzyme inhibitor Angiotensin-converting enzyme DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Liver Cirrhosis, BiliaryD008105EFO:1001486primary biliary cirrhosis2ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC

Clinical Data

ClinicalTrials.gov MOEXIPRIL
The Cochrane Collaboration MOEXIPRIL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1165. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 1.000
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL4607 Angiotensin II type 2 (AT-2) receptor Homo sapiens 1.000
CHEMBL3369 Neprilysin Rattus norvegicus 0.998
CHEMBL257 Angiotensin II type 2 (AT-2) receptor Rattus norvegicus 0.974
CHEMBL1944 Neprilysin Homo sapiens 0.941
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.881
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.782
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.589



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 1.000
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL4607 Angiotensin II type 2 (AT-2) receptor Homo sapiens 0.999
CHEMBL3369 Neprilysin Rattus norvegicus 0.999
CHEMBL233 Mu opioid receptor Homo sapiens 0.799
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.687
CHEMBL1944 Neprilysin Homo sapiens 0.685
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.611
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.603
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.574
CHEMBL236 Delta opioid receptor Homo sapiens 0.253

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
498.6 498.2366 2.58 11 114.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.94 5.28 4.77 1.11 2 36 0.45

Structural Alerts

There are 3 structural alerts for CHEMBL1165. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C09 - AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
C09A - ACE INHIBITORS, PLAIN
C09AA - ACE inhibitors, plain
C09AA13 - moexipril

ChemSpider ChemSpider:UWWDHYUMIORJTA-HSQYWUDLSA-N
DailyMed moexipril hydrochloride
Wikipedia Moexipril

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1165



ACToR 103775-10-6 109715-88-0
BindingDB 50084673
ChEBI 6960
DrugBank DB00691
DrugCentral 1827
EPA CompTox Dashboard DTXSID9023330
FDA SRS WT87C52TJZ
Guide to Pharmacology 6571
Human Metabolome Database HMDB0014829
IBM Patent System A4B34569C4167BF9B4C182AA3BD159B5
KEGG Ligand C07704
LINCS LSM-2751
Nikkaji J557.758F
PharmGKB PA164769059
PubChem 40466988 91270
PubChem: Thomson Pharma 14884255 14933223
SureChEMBL SCHEMBL34030
ZINC ZINC000003812306

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UWWDHYUMIORJTA-HSQYWUDLSA-N spacer
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