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
Structure
3D MOL 2D MOL
#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
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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]
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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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.