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
Structure
3D MOL 2D MOL
#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
CHEMBL30294
CAS Number
2954-50-9
TTD ID
D08HOJ
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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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]
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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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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