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
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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.