Details of the Drug

General Information of Drug (ID: DMDI98B)

Drug Name
2-(2-Methoxy-phenyl)-1-methyl-ethylamine
Synonyms
1-(2-methoxyphenyl)propan-2-amine; 15402-84-3; N-Desmethylmethoxyphenamine; 2-Methoxyamphetamine; o-Methoxyamphetamine; NDMP; 2-(2-Methoxy-phenyl)-1-methyl-ethylamine; CHEMBL16451; Benzeneethanamine, 2-methoxy-alpha-methyl-; Benzeneethanamine,2-methoxy--methyl-; 1-(2-METHOXYPHENYL)-2-PROPYLAMINE; AC1L4MFB; AC1Q57OA; AC1Q45CZ; (d,l)-2-Methoxyamphetamine; Methoxyphenamine, N-desmethyl; SCHEMBL266563; o-Methoxy(phenylisopropyl)amine; AMBZ0414; AC1Q45D0; 2-Methoxy(phenylisopropyl)amine; o-Methoxy-a-methylphenethylamine
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) 2.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H15NO
IUPAC Name
1-(2-methoxyphenyl)propan-2-amine
Canonical SMILES
CC(CC1=CC=CC=C1OC)N
InChI
InChI=1S/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3
InChIKey
VBAHFEPKESUPDE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
159755
CAS Number
15402-84-3
TTD ID
D00FUS
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
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
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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.