Details of the Drug

General Information of Drug (ID: DMNXQ7Z)

• Drug Name: 1,2,3,4-Tetrahydro-naphthalen-1-ylamine
• Synonyms: 1,2,3,4-Tetrahydro-1-naphthylamine; 2217-40-5; 1,2,3,4-tetrahydronaphthalen-1-amine; 1-Aminotetralin; Aminotetralin; 1-Amino-1,2,3,4-tetrahydro-naphthalene; Aminotetralin [Czech]; 1,2,3,4-tetrahydronaphthylamine; JRZGPXSSNPTNMA-UHFFFAOYSA-N; EINECS 220-973-7; beta-1,2,3,4-Tetrahydronaphthylamine; Naphthalenamine, 1,2,3,4-tetrahydro-; BRN 1102357; 1-Amino-1,2,3,4-tetrahydronaphthalene; 1,2,3,4-tetrahydronaphthalen-1-ylamine; 1-Naphthalenamine, 1,2,3,4-tetrahydro-

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); 147.22
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C10H13N
  IUPAC Name: 1,2,3,4-tetrahydronaphthalen-1-amine
  Canonical SMILES: C1CC(C2=CC=CC=C2C1)N
  InChI: InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2
  InChIKey: JRZGPXSSNPTNMA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 18066
  CAS Number: 2217-40-5
  TTD ID: D0UF1R

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.