Details of the Drug

General Information of Drug (ID: DM6X9J3)

• Drug Name: 1-(1-Naphthyl)-2-aminopropane
• Synonyms: CHEMBL471838; 1-(1-Naphthyl)-2-aminopropane; 1-napthyl-2-aminopropane; SCHEMBL266931; AC1L96M0; 1-(1-Naphthyl)propane-2-amine; CTK6A7125; 1-naphthalen-1-ylpropan-2-amine; BDBM50276188; AKOS022488614; AKOS000151865; 12687-37-5; 1-(NAPHTHALEN-1-YL)PROPAN-2-AMINE

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); 185.26
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C13H15N
  IUPAC Name: 1-naphthalen-1-ylpropan-2-amine
  Canonical SMILES: CC(CC1=CC=CC2=CC=CC=C21)N
  InChI: InChI=1S/C13H15N/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9,14H2,1H3
  InChIKey: ODTJDLMNBKMVGR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 413939
  CAS Number: 12687-37-5
  TTD ID: D0BE0S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_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 A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] Naphthylisopropylamine and N-benzylamphetamine derivatives as monoamine oxidase inhibitors. Bioorg Med Chem. 2009 Mar 15;17(6):2452-60.