Details of the Drug

General Information of Drug (ID: DM4C9H2)

• Drug Name: 2-(3-Methoxy-phenyl)-1-methyl-ethylamine
• Synonyms: 3-Methoxyamphetamine; 1-(3-methoxyphenyl)propan-2-amine; 17862-85-0; Benzeneethanamine, 3-methoxy-alpha-methyl-; CHEMBL16247; VEJWNIYARKAHFI-UHFFFAOYSA-N; 2-(3-Methoxyphenyl)-1-methylethylamine; 17862-91-8; meta-Methoxyamphetamine; 3-methoxyamphetamine -; 2-(3-Methoxy-phenyl)-1-methyl-ethylamine; AC1L47YE; NCIOpen2_006073; SCHEMBL269071; CTK0H8604; 1-(3-methoxyphenyl)-2-propylamine; BDBM50024211; AKOS000157039; AKOS022196418; MCULE-6670391418; MB01562; 1-(3-Methoxyphenyl)-2-propanamine #; NCI60_042089

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); 165.23
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H15NO
  IUPAC Name: 1-(3-methoxyphenyl)propan-2-amine
  Canonical SMILES: CC(CC1=CC(=CC=C1)OC)N
  InChI: InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
  InChIKey: VEJWNIYARKAHFI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 152234
  CAS Number: 17862-85-0
  TTD ID: D00QSV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Inhibitor	[1]
5-HT 1D receptor (HTR1D)	TT6MSOK	5HT1D_HUMAN	Inhibitor	[1]
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_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
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

References

• [1] 5-HT1 and 5-HT2 binding characteristics of 1-(2,5-dimethoxy-4-bromophenyl)-2-aminopropane analogues. J Med Chem. 1986 Feb;29(2):194-9.