ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL589583
CHEMBL589583
Compound Name DELAPRIL
ChEMBL Synonyms DELAPRIL HYDROCHLORIDE | REV 6000A | DELAPRIL
Max Phase 3
Trade Names
Molecular Formula C26H32N2O5

Additional synonyms for CHEMBL589583 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C2Cc3ccccc ...
Download SMILES
Standard InChI InChI=1S/C26H32N2O5/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19) ...
Download InChI
Standard InChI Key WOUOLAUOZXOLJQ-MBSDFSHPSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL589583

Molecule Features

CHEMBL589583 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HypertensionD006973EFO:0000537hypertension3ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease3ATC

Clinical Data

ClinicalTrials.gov DELAPRIL
The Cochrane Collaboration DELAPRIL

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 CHEMBL589583. 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
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 1.000
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL1944 Neprilysin Homo sapiens 0.808

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 1.000
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.520
CHEMBL3392 Thermolysin Bacillus thermoproteolyticus 0.436
CHEMBL4588 Matrix metalloproteinase 8 Homo sapiens 0.349
CHEMBL1944 Neprilysin Homo sapiens 0.281
CHEMBL2129 Peroxisome proliferator-activated receptor alpha Rattus norvegicus 0.214

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
452.6 452.2311 2.61 11 95.94 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.07 5.49 4.48 .85 2 33 0.51

Structural Alerts

There are 3 structural alerts for CHEMBL589583. 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
C09AA12 - delapril

ChemSpider ChemSpider:WOUOLAUOZXOLJQ-MBSDFSHPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL589583



ACToR 83435-66-9
Brenda 11939 138985 31801
ChEBI 135735
DrugCentral 798
FDA SRS W77UAL9THI
IBM Patent System 4578B4EF3205ABE284A0956A988D9054
Nikkaji J239.643B
PubChem 5362116 40466929
PubChem: Thomson Pharma 15502898
SureChEMBL SCHEMBL34120
ZINC ZINC000003794599

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