Details of the Drug

General Information of Drug (ID: DM2WEB9)

• Drug Name: Decylamine-N,N-Dimethyl-N-Oxide
• Synonyms: 2605-79-0; N,N-Dimethyldecylamine N-oxide; N,N-Dimethyldecylamine oxide; 1-Decanamine, N,N-dimethyl-, N-oxide; DECYLAMINE-N,N-DIMETHYL-N-OXIDE; decyl(dimethyl)amine oxide; UNII-G387VUT5EZ; Capric dimethyl amine oxide; N,N-Dimethyldecylamine-N-oxide; N,N-dimethyldecan-1-amine oxide; Decyl dimethyl amine oxide; N,N-dimethyldecanamine oxide; G387VUT5EZ; CHEBI:41899; N,N-Dimethyl-1-decanamine-N-oxide; 1-Decanamine,N,N-dimethyl-, N-oxide; Alkyldimethylamine oxides, commercial grade; 3nok; EINECS 220-020-5; decyldimethylamine oxide

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 201.35
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C12H27NO
  IUPAC Name: N,N-dimethyldecan-1-amine oxide
  Canonical SMILES: CCCCCCCCCC[N+](C)(C)[O-]
  InChI: InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3
  InChIKey: ZRKZFNZPJKEWPC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 62452
  ChEBI ID: CHEBI:41899
  CAS Number: 2605-79-0
  DrugBank ID: DB02613
  TTD ID: D0S8YD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]

References

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