Details of the Drug

General Information of Drug (ID: DM54V0X)

• Drug Name: Tamoxifen methyl iodide
• Synonyms: Tamoxifen methiodide; Tamoxifen methyl iodide; CHEMBL1213783; MLS002701640; AC1MHWIV; N-Methyltamoxifen iodide; 107256-99-5; PXJJOGITBQXZEQ-JTHROIFXSA-M; NSC630510; NSC-630510; (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N,N-trimethylethanaminium iodide; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-trimethylazanium iodide; Ethanaminium, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N,N-trimethyl-, iodide, (Z)-
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 513.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 8
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 2
• Chemical Identifiers:
  Formula: C27H32INO
  IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-trimethylazanium;iodide
  Canonical SMILES: CC/C(=C(\\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)C)/C3=CC=CC=C3.[I-]
  InChI: InChI=1S/C27H32NO.HI/c1-5-26(22-12-8-6-9-13-22)27(23-14-10-7-11-15-23)24-16-18-25(19-17-24)29-21-20-28(2,3)4;/h6-19H,5,20-21H2,1-4H3;1H/q+1;/p-1/b27-26-
  InChIKey: PXJJOGITBQXZEQ-JTHROIFXSA-M
• Cross-matching ID:
  PubChem CID: 3033898
  CAS Number: 107256-99-5
  TTD ID: D0J4ZH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Inhibitor	[1]

References

• [1] Genomic action of permanently charged tamoxifen derivatives via estrogen receptor-alpha. Bioorg Med Chem. 2010 Aug 1;18(15):5593-601.