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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110954
CHEMBL2110954
Compound Name NERAMEXANE
ChEMBL Synonyms NERAMEXANE MESYLATE
Max Phase 3
Trade Names
Molecular Formula C11H23N

Additional synonyms for CHEMBL2110954 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CC(C)(C)CC(C)(N)C1
Standard InChI InChI=1S/C11H23N/c1-9(2)6-10(3,4)8-11(5,12)7-9/h6-8,12H2,1-5 ...
Download InChI
Standard InChI Key OGZQTTHDGQBLBT-UHFFFAOYSA-N

Sources

  • Clinical Candidates
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2110954

Molecule Features

CHEMBL2110954 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glutamate [NMDA] receptor antagonist Glutamate [NMDA] receptor PubMed
Neuronal acetylcholine receptor; alpha9/alpha10 antagonist Neuronal acetylcholine receptor; alpha9/alpha10 PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
TinnitusD0140123ClinicalTrials

Clinical Data

ClinicalTrials.gov NERAMEXANE
The Cochrane Collaboration NERAMEXANE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
169.3 169.183 2.94 0 26.02 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.11 3.71 .71 0 12 0.59

Structural Alerts

There are no structural alerts for CHEMBL2110954

Compound Cross References

ChemSpider ChemSpider:OGZQTTHDGQBLBT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110954



ACToR 219810-59-0
DrugBank DB04926
EPA CompTox Dashboard DTXSID40176399
FDA SRS 856DX0KJ84
IBM Patent System 7C52FADE4C31E9EF7C49DB7DF1F86149
MolPort MolPort-006-170-029
Nikkaji J959.601A
PubChem 6433106
PubChem: Thomson Pharma 15321869
SureChEMBL SCHEMBL466073
ZINC ZINC000004217734

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