Details of the Drug

General Information of Drug (ID: DMG0EL7)

• Drug Name: 5-MEO-DMT
• Synonyms: N,N-Dimethyl-5-methoxytryptamine; 5-Methoxy-N,N-dimethyltryptamine; 1019-45-0; Methoxybufotenin; O-Methylbufotenine; Methylbufotenine; MeODMT; 5-MeO-DMT; 5-Methoxydimethyltryptamine; Bufotenine, O-methyl-; 3-(2-Dimethylaminoethyl)-5-methoxyindole; 2-(5-Methoxy-1H-indol-3-yl)-N,N-dimethylethanamine; CT 4334; Methoxydimethyltryptamines; UNII-X0MKX3GWU9; 1H-Indole-3-ethanamine, 5-methoxy-N,N-dimethyl-; NSC 88624; 5-Methoxy-N,N-dimethyl-1H-indole-3-ethanamine; 5-OMe-DMT; INDOLE, 3-(2-(N,N-DIMETHYLAMINO)ETHYL)-5-METHOXY-

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); 218.29
  Topological Polar Surface Area (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C13H18N2O
  IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
  Canonical SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)OC
  InChI: InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
  InChIKey: ZSTKHSQDNIGFLM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1832
  ChEBI ID: CHEBI:2086
  CAS Number: 1019-45-0
  TTD ID: D0C5XQ
  INTEDE ID: DR0021

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Inhibitor	[2]
5-HT 2B receptor (HTR2B)	TT0K1SC	5HT2B_HUMAN	Inhibitor	[2]
5-HT 2C receptor (HTR2C)	TTWJBZ5	5HT2C_HUMAN	Inhibitor	[2]
5-HT 6 receptor (HTR6)	TTJS8PY	5HT6R_HUMAN	Inhibitor	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6) Main DME	DECB0K3	CP2D6_HUMAN	Substrate	[4]

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
5-HT 6 receptor (HTR6)	DTT	HTR6	1.23E-05	-0.12	-0.71
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	7.30E-01	-1.91E-02	-1.41E-01

References

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