Details of the Drug

General Information of Drug (ID: DMP4DLV)

• Drug Name: 1,2,3,4-Tetrahydro-naphthalen-2-ylamine
• Synonyms: 1,2,3,4-tetrahydronaphthalen-2-amine; 2954-50-9; 1,2,3,4-Tetrahydro-2-naphthylamine; 2-Aminotetralin; 2-Naphthalenamine, 1,2,3,4-tetrahydro-; 1,2,3,4-Tetrahydro-2-naphthalenamine; CHEMBL30294; LCGFVWKNXLRFIF-UHFFFAOYSA-N; 617700-25-1; 2-1,2,3,4-tetrahydronaphthylamine; 2-amino-tetralin; tetralin-2-amine; ACMC-20ac6z; AC1Q53DS; AC1L1S2C; SCHEMBL42952; .beta.-tetrahydronaphthylamine; BDBM23981; Tetrahydronaphthalen-2-amine, 3a; MolPort-001-779-767

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); 2.1
  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-2-amine
  Canonical SMILES: C1CC2=CC=CC=C2CC1N
  InChI: InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
  InChIKey: LCGFVWKNXLRFIF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 34677
  ChEBI ID: CHEBI:125359
  CAS Number: 2954-50-9
  TTD ID: D08HOJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Inhibitor	[1]
5-HT 1D receptor (HTR1D)	TT6MSOK	5HT1D_HUMAN	Inhibitor	[1]
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_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
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

References

• [1] 5-HT1 and 5-HT2 binding characteristics of some quipazine analogues. J Med Chem. 1986 Nov;29(11):2375-80.