Details of the Drug

General Information of Drug (ID: DM9Y4FL)

• Drug Name: Methyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amine
• Synonyms: N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine; 10409-15-1; N-methyl-N-1,2,3,4-tetrahydronaphthalen-1-ylamine; Methyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amine; 64037-95-2; ACMC-20mk8d; AC1L2G4R; 1-Naphthalenamine,1,2,3,4-tetrahydro-N-methyl-, (1R)-; SCHEMBL61095; 1-Naphthalenamine, 1,2,3,4-tetrahydro-N-methyl-; AC1Q410F; AC1Q410E; CTK4A2694; DTXSID70275501; JQEUPNKUYMHYPW-UHFFFAOYSA-N; MolPort-001-794-098; HMS1783D04; AKOS017269129; AKOS000118469; ENAMINE-BB EN300-11723; MCULE-6929246555; MB03780; NCGC00338944-02

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); 161.24
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C11H15N
  IUPAC Name: N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
  Canonical SMILES: CNC1CCCC2=CC=CC=C12
  InChI: InChI=1S/C11H15N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11-12H,4,6,8H2,1H3
  InChIKey: JQEUPNKUYMHYPW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46475
  CAS Number: 10409-15-1
  TTD ID: D0MX1T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_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
Monoamine oxidase type B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07

References

• [1] Stereoisomers of allenic amines as inactivators of monoamine oxidase type B. Stereochemical probes of the active site. J Med Chem. 1988 Aug;31(8):1558-66.