Details of the Drug

General Information of Drug (ID: DMH1RX6)

Drug Name
3-Methoxymethyl-1,2,3,4-tetrahydro-isoquinoline
Synonyms CHEMBL294562; Isoquinoline, 1,2,3,4-tetrahydro-3-(methoxymethyl)-; 245125-98-8; 3-Methoxymethyl-1,2,3,4-tetrahydro-isoquinoline; 3-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline; SCHEMBL7585285
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) 177.24
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C11H15NO
IUPAC Name
3-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline
Canonical SMILES
COCC1CC2=CC=CC=C2CN1
InChI
InChI=1S/C11H15NO/c1-13-8-11-6-9-4-2-3-5-10(9)7-12-11/h2-5,11-12H,6-8H2,1H3
InChIKey
IDSUOIGUQHWCCU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10797392
TTD ID
D0TN2R

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-2A (ADRA2A) TTWG9A4 ADA2A_HUMAN Inhibitor [1]
Adrenergic receptor alpha-2B (ADRA2B) TTWM4TY ADA2B_HUMAN Inhibitor [1]
Adrenergic receptor alpha-2C (ADRA2C) TT2NUT5 ADA2C_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
Adrenergic receptor alpha-2C (ADRA2C) DTT ADRA2C 1.76E-01 -0.06 -0.28
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 3,7-Disubstituted-1,2,3,4-tetrahydroisoquinolines display remarkable potency and selectivity as inhibitors of phenylethanolamine N-methyltransferas... J Med Chem. 1999 Jun 3;42(11):1982-90.