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]
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
CHEMBL1233973
CAS Number
1643-20-5
UNII
4F6FC4MI8W
DrugBank ID
DB04147
TTD ID
D0C7PY
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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) 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.