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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL289556
CHEMBL289556
Compound Name OMAPATRILAT
ChEMBL Synonyms BMS-186716 | Omapatrilat | BMS-186716-01
Max Phase 0
Trade Names
Molecular Formula C19H24N2O4S2

Additional synonyms for CHEMBL289556 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(= ...
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Standard InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13- ...
Download InChI
Standard InChI Key LVRLSYPNFFBYCZ-VGWMRTNUSA-N

Molecule Features

CHEMBL289556 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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 6 structural alerts for CHEMBL289556. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL289556

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 CHEMBL289556. 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
CHEMBL1944 Neprilysin Homo sapiens 1.000
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL3369 Neprilysin Rattus norvegicus 1.000
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL4198 Inhibitor of apoptosis protein 3 Homo sapiens 1.000
CHEMBL5462 Baculoviral IAP repeat-containing protein 2 Homo sapiens 1.000
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.997
CHEMBL4073 Matrix metalloproteinase 7 Homo sapiens 0.811
CHEMBL278 Integrin alpha-4 Homo sapiens 0.370
CHEMBL3736 Angiotensin-converting enzyme 2 Homo sapiens 0.369
CHEMBL3837 Cathepsin L Homo sapiens 0.296



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 1.000
CHEMBL1944 Neprilysin Homo sapiens 1.000
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL3369 Neprilysin Rattus norvegicus 1.000
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL5462 Baculoviral IAP repeat-containing protein 2 Homo sapiens 1.000
CHEMBL4198 Inhibitor of apoptosis protein 3 Homo sapiens 1.000
CHEMBL5335 Baculoviral IAP repeat-containing protein 3 Homo sapiens 1.000
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.998
CHEMBL1907 Aminopeptidase N Homo sapiens 0.965
CHEMBL3769 Trypsin I Bos taurus 0.911
CHEMBL3736 Angiotensin-converting enzyme 2 Homo sapiens 0.560
CHEMBL1293244 Beta-lactamase Pseudomonas aeruginosa 0.517
CHEMBL278 Integrin alpha-4 Homo sapiens 0.419
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.247

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
408.5 408.1177 2.08 5 150.81 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.44 - 4.81 1.17 1 27 0.64

Compound Cross References

ChemSpider ChemSpider:LVRLSYPNFFBYCZ-VGWMRTNUSA-N
Wikipedia Omapatrilat

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL289556



ACToR 167305-00-2
BindinDB 50073120
FDA SRS 36NLI90E7T
IBM Patent System 5E8C61AA01A5D56E71D4F46E2C9C8FFB
IBM Patents US6300503 US20050070499 US6284901 US6734186 US20040087561 US20050020547 US7388098 US20020111512 US20040254153
Nikkaji J851.014H
PubChem 656629
PubChem: Drugs of the Future 12014939
PubChem: Thomson Pharma 14879584 14879585
SureChEMBL SCHEMBL130098

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