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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

NameCHEMBL39243
Molecular formulaC15H19N5O
IUPAC name5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-amine
Molecular weight285.351
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.2
SynonymsSCHEMBL8785273
BDBM50406758
L005504
L-695894
137403-16-8
Inchi KeyGJLPUJJLZFRDTA-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H19N5O/c1-20(2)6-5-11-9-17-13-4-3-10(7-12(11)13)8-14-18-15(16)19-21-14/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,16,19)
PubChem CID10401691
ChEMBLCHEMBL39243
IUPHARN/A
BindingDB50406758
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
980405-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
980395-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
980375-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
980385-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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