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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL54265
Molecular formulaC14H17N5
IUPAC nameN,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine
Molecular weight255.325
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.3
SynonymsBDBM50407356
N,N-Dimethyl-5-(1H-1,2,4-triazol-1-yl)-1H-indole-3-(ethanamine)
SCHEMBL8783731
Inchi KeyGKKAQRFMUGUZQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3
PubChem CID10106412
ChEMBLCHEMBL54265
IUPHARN/A
BindingDB50407356
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
987385-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
987375-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
987395-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
987365-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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