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Ligand

NameCHEMBL444550
Molecular formulaC18H20IN5O4
IUPAC name(2R,3R,4R,5R)-5-(hydroxymethyl)-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-3-methyloxolane-3,4-diol
Molecular weight497.293
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.1
Synonyms205171-07-9
5-Hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-yl]-3-methyl-tetrahydro-furan-3,4-diol
Adenosine, N-[(3-iodophenyl)methyl]-2'-C-methyl-
BDBM50162479
N-(3-Iodobenzyl)-2'-methyladenosine
Inchi KeyFZQBZRYTXUBBLO-AXYPVASZSA-N
Inchi IDInChI=1S/C18H20IN5O4/c1-18(27)14(26)12(7-25)28-17(18)24-9-23-13-15(21-8-22-16(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14,17,25-27H,6-7H2,1H3,(H,20,21,22)/t12-,14-,17-,18-/m1/s1
PubChem CID10767601
ChEMBLCHEMBL444550
IUPHARN/A
BindingDB50162479
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
91188Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
91189Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
91190Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
445343Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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