Details of the Drug

General Information of Drug (ID: DMBNZKH)

• Drug Name: 1-(2-Naphthyl)-2-aminopropane
• Synonyms: 1-(naphthalen-2-yl)propan-2-amine; CHEMBL471839; 1-(2-Naphthyl)-2-aminopropane; AC1Q2BAX; SCHEMBL268036; 1-(2-naphthyl)propan-2-amine; 1-(2-Naphthyl)-2-propanamine; CTK6A7105; MolPort-004-323-272; BDBM50276189; AKOS022488613; AKOS000160972; MCULE-4757807613; NE51647; EN300-62738

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-2-ylpropan-2-amine
  Canonical SMILES: CC(CC1=CC2=CC=CC=C2C=C1)N
  InChI: InChI=1S/C13H15N/c1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-7,9-10H,8,14H2,1H3
  InChIKey: UPQSZFKXKRKCGZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10219723
  CAS Number: 18085-03-5
  TTD ID: D00YVE

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.