Details of the Drug

General Information of Drug (ID: DM4AYC2)

• Drug Name: Undecylamine-n,n-dimethyl-n-oxide
• Synonyms: UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE; N,N-Dimethylundecylamine N-oxide; 15178-71-9; N,N-dimethylundecan-1-amine oxide; aminodimethylundecyl-1-ol; Undecyldimethylamine oxide; AC1N3GI3; dimethyl(undecyl)amine oxide; SCHEMBL80683; N,N-dimethylundecylamine-N-oxide; CTK4C7202; DTXSID30399439; MolPort-003-931-480; ZINC2516963; AKOS024386385; DB07646; 1-Undecanamine,N,N-dimethyl-, N-oxide; FT-0747513; ST51037582; C-56601

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); 215.38
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C13H29NO
  IUPAC Name: N,N-dimethylundecan-1-amine oxide
  Canonical SMILES: CCCCCCCCCCC[N+](C)(C)[O-]
  InChI: InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3
  InChIKey: OZHBUVQCJMARBN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4112111
  CAS Number: 15178-71-9
  DrugBank ID: DB07646
  TTD ID: D0YQ2A

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] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.