Details of the Drug

General Information of Drug (ID: DMOZ73L)

Drug Name
[2-(5-Ethyl-1H-indol-3-yl)-ethyl]-dimethyl-amine
Synonyms CHEMBL50492; 171783-25-8; 5-Ethyl-DMT; [2-(5-Ethyl-1H-indol-3-yl)-ethyl]-dimethyl-amine; DTXSID30444736; BDBM50049099
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) 216.32
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C14H20N2
IUPAC Name
2-(5-ethyl-1H-indol-3-yl)-N,N-dimethylethanamine
Canonical SMILES
CCC1=CC2=C(C=C1)NC=C2CCN(C)C
InChI
InChI=1S/C14H20N2/c1-4-11-5-6-14-13(9-11)12(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKey
ZEHXYLDGQMEYAX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10775128
CAS Number
171783-25-8
TTD ID
D03XAE

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-Alkyltryptamine derivatives as highly selective and potent 5-HT1D receptor agonists. Bioorg Med Chem Lett. 2000 Aug 7;10(15):1707-9.