ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL581
CHEMBL581
Compound Name FOSINOPRILAT
ChEMBL Synonyms SO 27,519 | FOSINOPRILAT
Max Phase 0
Trade Names
Molecular Formula C23H34NO5P

Additional synonyms for CHEMBL581 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@@H]1C[C@H](CN1C(=O)CP(=O)(O)CCCCc2ccccc2)C3CCCCC3
Standard InChI InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4- ...
Download InChI
Standard InChI Key WOIWWYDXDVSWAZ-RTWAWAEBSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL581

Molecule Features

CHEMBL581 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov FOSINOPRILAT
The Cochrane Collaboration FOSINOPRILAT

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 CHEMBL581. 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
CHEMBL2461 Prolyl endopeptidase Sus scrofa 1.000
CHEMBL3369 Neprilysin Rattus norvegicus 1.000
CHEMBL4035 Prolyl endopeptidase Rattus norvegicus 1.000
CHEMBL3202 Prolyl endopeptidase Homo sapiens 1.000
CHEMBL1907 Aminopeptidase N Homo sapiens 0.883
CHEMBL1944 Neprilysin Homo sapiens 0.804
CHEMBL4394 Sphingosine kinase 1 Homo sapiens 0.765
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.759
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.465
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.407
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.301
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.218



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
CHEMBL2461 Prolyl endopeptidase Sus scrofa 1.000
CHEMBL3369 Neprilysin Rattus norvegicus 1.000
CHEMBL4035 Prolyl endopeptidase Rattus norvegicus 1.000
CHEMBL3202 Prolyl endopeptidase Homo sapiens 0.993
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.984
CHEMBL1907 Aminopeptidase N Homo sapiens 0.918
CHEMBL4394 Sphingosine kinase 1 Homo sapiens 0.807
CHEMBL4893 Hepatitis C virus NS3 protease/helicase Hepatitis C virus 0.630
CHEMBL1944 Neprilysin Homo sapiens 0.561
CHEMBL3508 Cholecystokinin B receptor Rattus norvegicus 0.549
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.474
CHEMBL4026 Signal transducer and activator of transcription 3 Homo sapiens 0.446
CHEMBL5440 Dehydrosqualene synthase Staphylococcus aureus 0.438
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.245
CHEMBL3693 Farnesyl pyrophosphate synthase Leishmania donovani 0.209

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
435.5 435.2175 4.16 9 94.91 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.75 - 4.41 -.34 1 30 0.45

Structural Alerts

There are 2 structural alerts for CHEMBL581. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WOIWWYDXDVSWAZ-RTWAWAEBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL581



ACToR 95399-71-6
BindingDB 50018849
Brenda 66377
ChEBI 116962
EPA CompTox Dashboard DTXSID80869253
FDA SRS S312EY6ZT8
Guide to Pharmacology 6457
IBM Patent System CB149D8EE252EE1868D60F8A903408DF 81DC6FF26A0785F0FDCA8E2313FC1B3C F343220BAFBB2D43A1D54BED9C5B8053
Nikkaji J261.896F
PubChem 62956
PubChem: Thomson Pharma 14982925
SureChEMBL SCHEMBL124537
ZINC ZINC000004213382

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