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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200922
CHEMBL1200922
Compound Name MEBUTAMATE
ChEMBL Synonyms MEBUTAMATE | DORMATE | W-583
Max Phase 4 (Approved)
Trade Names DORMATE
Molecular Formula C10H20N2O4

Additional synonyms for CHEMBL1200922 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(C)C(C)(COC(=O)N)COC(=O)N
Standard InChI InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/ ...
Download InChI
Standard InChI Key LEROTMJVBFSIMP-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1200922

Molecule Features

CHEMBL1200922 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ANXIETYD001007EFO:0005230ANXIETY4ATC

Clinical Data

ClinicalTrials.gov MEBUTAMATE
The Cochrane Collaboration MEBUTAMATE

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 CHEMBL1200922. 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
CHEMBL4893 Hepatitis C virus NS3 protease/helicase Hepatitis C virus 0.994
CHEMBL4106 Cathepsin D Bos taurus 0.937
CHEMBL2857 Human rhinovirus A protease Human rhinovirus sp. 0.845
CHEMBL4198 Inhibitor of apoptosis protein 3 Homo sapiens 0.737
CHEMBL2676 Endothelin-converting enzyme 1 Rattus norvegicus 0.607
CHEMBL209 Trypsin I Homo sapiens 0.415
CHEMBL204 Thrombin Homo sapiens 0.261
CHEMBL3419 Carboxypeptidase B2 isoform A Homo sapiens 0.217



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4893 Hepatitis C virus NS3 protease/helicase Hepatitis C virus 0.970
CHEMBL4106 Cathepsin D Bos taurus 0.960
CHEMBL2857 Human rhinovirus A protease Human rhinovirus sp. 0.827
CHEMBL209 Trypsin I Homo sapiens 0.702
CHEMBL4198 Inhibitor of apoptosis protein 3 Homo sapiens 0.598
CHEMBL204 Thrombin Homo sapiens 0.556
CHEMBL4662 Proteasome Macropain subunit MB1 Homo sapiens 0.435
CHEMBL3419 Carboxypeptidase B2 isoform A Homo sapiens 0.285
CHEMBL2676 Endothelin-converting enzyme 1 Rattus norvegicus 0.265
CHEMBL4188 Rhodesain Trypanosoma brucei rhodesiense 0.223
CHEMBL268 Cathepsin K Homo sapiens 0.217

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
232.3 232.1423 1.52 8 104.64 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.07 - 1.05 1.05 0 16 0.66

Structural Alerts

There are 2 structural alerts for CHEMBL1200922. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05B - ANXIOLYTICS
N05BC - Carbamates
N05BC04 - mebutamate

ChemSpider ChemSpider:LEROTMJVBFSIMP-UHFFFAOYSA-N
PubChem SID: 170465233
Wikipedia Mebutamate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200922



ACToR 64-55-1
ChEBI 31804
DrugCentral 1644
eMolecules 3716038
EPA CompTox Dashboard DTXSID1023239
IBM Patent System 4BA2AA63A0AD18D4128790CBD2C28650
Mcule MCULE-1955843218
MolPort MolPort-004-285-961
Nikkaji J1.403F
NMRShiftDB 20208588
PubChem 6151
PubChem: Thomson Pharma 14749373
SureChEMBL SCHEMBL122289

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