Details of the Drug

General Information of Drug (ID: DMBPWSJ)

Drug Name
L-747201
Synonyms CHEMBL116092; L-747201; SCHEMBL9075818; BDBM50060419; L010227; 3-(2-Pyrrolizinoethyl)-5-(4H-1,2,4-triazol-4-yl)-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) 281.36
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H19N5
IUPAC Name
3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole
Canonical SMILES
C1CCN(C1)CCC2=CNC3=C2C=C(C=C3)N4C=NN=C4
InChI
InChI=1S/C16H19N5/c1-2-7-20(6-1)8-5-13-10-17-16-4-3-14(9-15(13)16)21-11-18-19-12-21/h3-4,9-12,17H,1-2,5-8H2
InChIKey
WYXPLVWYFDBFBS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10468938
TTD ID
D0KQ9H

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 Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. J Med Chem. 1997 Oct 24;40(22):3501-3.