Details of the Drug

General Information of Drug (ID: DM1AEK4)

Drug Name
2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine
Synonyms CHEMBL355517; 2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine; SCHEMBL8686120; BDBM50088863; AKOS022550938; 3-(2-Aminoethyl)-5-(2-thienyl)-1H-indole
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) 242.34
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H14N2S
IUPAC Name
2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine
Canonical SMILES
C1=CSC(=C1)C2=CC3=C(C=C2)NC=C3CCN
InChI
InChI=1S/C14H14N2S/c15-6-5-11-9-16-13-4-3-10(8-12(11)13)14-2-1-7-17-14/h1-4,7-9,16H,5-6,15H2
InChIKey
KULFBKTWESBCBG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10198700
TTD ID
D03MVY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1B receptor (HTR1B) TTK8CXU 5HT1B_HUMAN Inhibitor [1]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 5-Thienyltryptamine derivatives as serotonin 5-HT1B/1D receptor agonists: potential treatments for migraine. Bioorg Med Chem Lett. 2000 May 1;10(9):903-5.