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Ligand

NameMLS000521446
Molecular formulaC21H22NO3+
IUPAC namemethyl 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate
Molecular weight336.411
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsCHEMBL1622468
2-[(E)-2-(2-hydroxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylic acid methyl ester;iodide
methyl 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate;iodide
AKOS001665102
SMR000131854
[ Show all ]
Inchi KeyCRZMPBDMWJWPBA-UHFFFAOYSA-O
Inchi IDInChI=1S/C21H21NO3/c1-21(2)16-13-15(20(24)25-4)9-11-17(16)22(3)19(21)12-10-14-7-5-6-8-18(14)23/h5-13H,1-4H3/p+1
PubChem CID11957215
ChEMBLN/A
IUPHARN/A
BindingDB39763
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
49276G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
49277Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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