Details of the Drug

General Information of Drug (ID: DMW6U7K)

• Drug Name: CHOLINE IODIDE
• Synonyms: Choline iodide; 17773-10-3; 2-Hydroxy-N,N,N-trimethylethanaminium iodide; Jodoetano; Dilatol zambon; UNII-39528O55VK; EINECS 241-754-2; (2-Hydroxyethyl)trimethylammonium Iodide; AI3-61505; CHEMBL293410; Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, iodide; 39528O55VK; CholineIodide; AC1L3DCR; AC1Q1TNR; ACMC-209ed9; SCHEMBL315876; CTK4D6569; ANW-22891; MFCD00011900; AKOS027320917; 2-hydroxyethyl(trimethyl)azanium iodide; ACM17773103; KS-0000140P; LS-53247; KB-76072; TC-111636; FT-0623771; C-45721; Ethanaminium,2-hydroxy-N,N,N-trimethyl-, io

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 231.08
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 1
  Hydrogen Bond Acceptor Count; 2
• Chemical Identifiers:
  Formula: C5H14INO
  IUPAC Name: 2-hydroxyethyl(trimethyl)azanium;iodide
  Canonical SMILES: C[N+](C)(C)CCO.[I-]
  InChI: InChI=1S/C5H14NO.HI/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
  InChIKey: FNPBHXSBDADRBT-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 87300
  CAS Number: 17773-10-3
  TTD ID: D0Q2DE
• 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
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[1]

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
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

References

• [1] Structure-based alignment and comparative molecular field analysis of acetylcholinesterase inhibitors. J Med Chem. 1996 Dec 20;39(26):5064-71.