Details of the Drug

General Information of Drug (ID: DMAFPHB)

Drug Name
TRYPTAMINE
Synonyms
tryptamine; 61-54-1; 2-(1H-Indol-3-yl)ethanamine; 3-(2-aminoethyl)indole; 1H-Indole-3-ethanamine; 2-(3-Indolyl)ethylamine; Indol-3-ethylamine; Indole, 3-(2-aminoethyl)-; 2-(Indol-3-yl)ethylamine; 2-(1H-Indol-3-Yl)Ethan-1-Amine; 3-Indoleethylamine; Tryptamin; 2-(1H-indol-3-yl)ethylamine; 2-Indol-3-ylethylamine; 2-(1H-INDOL-3-YL)-ETHYLAMINE; UNII-422ZU9N5TV; (Amino-2 ethyl)-3 indole; (Amino-2 ethyl)-3 indole [French]; Tryptamine, 98%; BRN 0125513; EINECS 200-510-5; CHEMBL6640; 422ZU9N5TV; CHEBI:16765; APJYDQYYACXCRM-UHFFFAOYSA-N
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 160.22
Topological Polar Surface Area (xlogp) 1.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C10H12N2
IUPAC Name
2-(1H-indol-3-yl)ethanamine
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CCN
InChI
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKey
APJYDQYYACXCRM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1150
ChEBI ID
CHEBI:16765
CAS Number
61-54-1
DrugBank ID
DB08653
TTD ID
D08CJK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [1]
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Inhibitor [2]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 2A receptor (HTR2A) DTT HTR2A 4.32E-01 0.15 0.13
Monoamine oxidase type B (MAO-B) DTT MAOB 3.49E-01 -0.02 -0.19
Monoamine oxidase type A (MAO-A) DTT MAOA 4.12E-01 -0.02 -0.08
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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