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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 APRONAL | Sedormid
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

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

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

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
CHEMBL4647 Peptide deformylase mitochondrial Homo sapiens 0.999
CHEMBL3377 Neuraminidase Influenza B virus (strain B/Lee/1940) 0.999
CHEMBL4073 Matrix metalloproteinase 7 Homo sapiens 0.989
CHEMBL6056 Renin Callithrix jacchus 0.944
CHEMBL4801 Caspase-1 Homo sapiens 0.914
CHEMBL4893 Hepatitis C virus NS3 protease/helicase Hepatitis C virus 0.846
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 0.814
CHEMBL2940 Immunoglobulin epsilon Fc receptor Homo sapiens 0.793
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 0.718
CHEMBL2714 Pepsin A Sus scrofa 0.644
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.590
CHEMBL4662 Proteasome Macropain subunit MB1 Homo sapiens 0.554
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 0.477



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 0.926
CHEMBL6056 Renin Callithrix jacchus 0.862
CHEMBL2940 Immunoglobulin epsilon Fc receptor Homo sapiens 0.777
CHEMBL4893 Hepatitis C virus NS3 protease/helicase Hepatitis C virus 0.659
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 0.593
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.404
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 0.359
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.349
CHEMBL2714 Pepsin A Sus scrofa 0.342
CHEMBL4188 Rhodesain Trypanosoma brucei rhodesiense 0.212
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.209

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
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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