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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL509282
CHEMBL509282
Compound Name SEDORMID
ChEMBL Synonyms Sedormid | APRONAL
Max Phase 4 (Approved)
Trade Names
Molecular Formula C9H16N2O2

Additional synonyms for CHEMBL509282 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C(CC=C)C(=O)NC(=O)N
Standard InChI InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1, ...
Download InChI
Standard InChI Key KSUUMAWCGDNLFK-UHFFFAOYSA-N

Sources

  • Manually Added Drugs
  • Scientific Literature
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL509282

Molecule Features

CHEMBL509282 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov SEDORMID
The Cochrane Collaboration SEDORMID

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 CHEMBL509282. 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
CHEMBL3377 Neuraminidase Influenza B virus (strain B/Lee/1940) 0.999
CHEMBL4647 Peptide deformylase mitochondrial Homo sapiens 0.999
CHEMBL4073 Matrix metalloproteinase 7 Homo sapiens 0.988
CHEMBL6056 Renin Callithrix jacchus 0.920
CHEMBL4893 Hepatitis C virus NS3 protease/helicase Hepatitis C virus 0.858
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 0.801
CHEMBL2940 Immunoglobulin epsilon Fc receptor Homo sapiens 0.779
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 0.701
CHEMBL2714 Pepsin A Sus scrofa 0.625
CHEMBL4801 Caspase-1 Homo sapiens 0.618
CHEMBL2046264 Renin Macaca fascicularis 0.497
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 0.445
CHEMBL4662 Proteasome Macropain subunit MB1 Homo sapiens 0.343
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.252



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4647 Peptide deformylase mitochondrial Homo sapiens 0.998
CHEMBL3377 Neuraminidase Influenza B virus (strain B/Lee/1940) 0.997
CHEMBL4073 Matrix metalloproteinase 7 Homo sapiens 0.921
CHEMBL6056 Renin Callithrix jacchus 0.813
CHEMBL2940 Immunoglobulin epsilon Fc receptor Homo sapiens 0.764
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 0.575
CHEMBL4893 Hepatitis C virus NS3 protease/helicase Hepatitis C virus 0.575
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.386
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 0.343
CHEMBL2714 Pepsin A Sus scrofa 0.325
CHEMBL2046264 Renin Macaca fascicularis 0.270
CHEMBL4662 Proteasome Macropain subunit MB1 Homo sapiens 0.214
CHEMBL4188 Rhodesain Trypanosoma brucei rhodesiense 0.200

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
184.2 184.1212 1.31 4 72.19 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.85 - 1.65 1.65 0 13 0.65

Structural Alerts

There are 5 structural alerts for CHEMBL509282. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CM - Other hypnotics and sedatives
N05CM12 - apronal

ChemSpider ChemSpider:KSUUMAWCGDNLFK-UHFFFAOYSA-N
Wikipedia Apronal

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL509282



ACToR 528-92-7
ChEBI 134827
DrugCentral 3678
eMolecules 32447964
IBM Patent System 25459E15CC275FB47F204FBD50F0778C
Mcule MCULE-8907992422
MolPort MolPort-006-111-629
Nikkaji J9.435H
NMRShiftDB 20209022
PubChem 10715
PubChem: Thomson Pharma 15462742
SureChEMBL SCHEMBL662209

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