Details of the Drug

General Information of Drug (ID: DMAV2FM)

Drug Name

QX-314

Synonyms

QX 314; CHEBI:46937; 2-[(2,6-dimethylphenyl)amino]-N,N,N-triethyl-2-oxoethanaminium; 2-((2,6-Dimethylphenyl)amino)-N,N,N-triethyl-2-oxoethanaminium; Ethanaminium, 2-((2,6-dimethylphenyl)amino)-N,N,N-triethyl-2-oxo-; Tocris-1014; AC1Q5LWR; Lopac-L-5783; UPCMLD-DP014; AC1L1H0Q; SCHEMBL93854; Lopac0_000679; KBioGR_000191; BSPBio_001471; KBioSS_000191; GTPL2405; UPCMLD-DP014:001; CHEMBL1180496; C16H27N2O; KBio3_000382; KBio2_005327; KBio2_002759; KBio2_000191; KBio3_000381; QX314; Bio2_000671; Bio2_000191; ZINC2037285; CCG-204765

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Terminated	[1]
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Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

343.3

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C16H27BrN2O
IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium;bromide
Canonical SMILES: CC[N+](CC)(CC)CC(=O)NC1=C(C=CC=C1C)C.[Br-]
InChI: InChI=1S/C16H26N2O.BrH/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5;/h9-11H,6-8,12H2,1-5H3;1H
InChIKey: DLHMKHREUTXMCH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9884487
CAS Number: 24003-58-5
TTD ID: D0C4JX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated sodium channel alpha Nav1.9 (SCN11A)	TTN9VTF	SCNBA_HUMAN	Blocker	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2405).
2	Voltage-gated sodium channel blockers for the treatment of chronic pain. Curr Top Med Chem. 2009;9(4):362-76.