Details of the Drug

General Information of Drug (ID: DM3W2OE)

Drug Name

Lauryl Dimethylamine-N-Oxide

Synonyms

1643-20-5; Lauramine oxide; Lauryldimethylamine oxide; Lauryldimethylamine N-oxide; Dodecyldimethylamine oxide; LDAO; Empigen OB; Ammonyx LO; Ammonyx AO; Aromox DMCD; Conco XAL; Dimethyldodecylamine oxide; Dimethylaurylamine oxide; 1-Dodecanamine, N,N-dimethyl-, N-oxide; DDNO; n-Dodecyldimethylamine oxide; Dodecyldimethylamine N-oxide; dodecyl(dimethyl)amine oxide; Dimethyldodecylamine N-oxide; N,N-dimethyldodecan-1-amine oxide; LAURYL DIMETHYLAMINE-N-OXIDE; Aromox dmmc-W; Dimethyllaurylamine oxide; Amonyx AO; Refan [Russian]

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

229.4

Logarithm of the Partition Coefficient (xlogp)

5.3

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C14H31NO
IUPAC Name: N,N-dimethyldodecan-1-amine oxide
Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)[O-]
InChI: InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
InChIKey: SYELZBGXAIXKHU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 15433
ChEBI ID: CHEBI:131762
CAS Number: 1643-20-5
DrugBank ID: DB04147
TTD ID: D0C7PY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[1]
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]
Rhodopsin (RHO)	TTH0KSX	OPSD_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Monoamine oxidase type B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.