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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL317094
CHEMBL317094
Compound Name IMIDAPRIL
ChEMBL Synonyms TANATRIL | IMIDAPRIL | IMIDAPRIL HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names TANATRIL
Molecular Formula C20H27N3O6

Additional synonyms for CHEMBL317094 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](CN(C)C2=O)C ...
Download SMILES
Standard InChI InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)2 ...
Download InChI
Standard InChI Key KLZWOWYOHUKJIG-BPUTZDHNSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL317094

Molecule Features

CHEMBL317094 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Polycystic Kidney, Autosomal DominantD016891EFO:1001496Autosomal dominant polycystic kidney disease2ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
Essential HypertensionD000075222EFO:1002032primary hypertension3ClinicalTrials

Clinical Data

ClinicalTrials.gov IMIDAPRIL
The Cochrane Collaboration IMIDAPRIL

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 CHEMBL317094. 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
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL1944 Neprilysin Homo sapiens 0.999
CHEMBL3369 Neprilysin Rattus norvegicus 0.998
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.761
CHEMBL3563 Cruzipain Trypanosoma cruzi 0.742
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.230



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 1.000
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL1944 Neprilysin Homo sapiens 0.998
CHEMBL3369 Neprilysin Rattus norvegicus 0.997
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.876
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.554

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
405.5 405.19 0.88 9 116.25 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.44 4.76 2.28 -1.43 1 29 0.59

Structural Alerts

There are 3 structural alerts for CHEMBL317094. 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
C09AA16 - imidapril

ChemSpider ChemSpider:KLZWOWYOHUKJIG-BPUTZDHNSA-N
Wikipedia Imidapril

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL317094



ACToR 89371-37-9
BindingDB 50020400
ChEBI 135654
ChemicalBook CB1780943
DrugBank DB11783
DrugCentral 1424
eMolecules 6843155
EPA CompTox Dashboard DTXSID2048242
FDA SRS BW7H1TJS22
Guide to Pharmacology 6377
Human Metabolome Database HMDB0041907
IBM Patent System 3471CE59E0B82B56023F71DCC34C9C03
Nikkaji J325.987K
PubChem 40466903 5464343
PubChem: Thomson Pharma 14855044
Selleck imidapril-tanatril
SureChEMBL SCHEMBL34098
ZINC ZINC000003784427

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