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Ligand

NameCHEMBL283057
Molecular formulaC14H17ClN6O3
IUPAC name(1S,2R,3S,4R,5S)-4-[2-chloro-6-(methylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight352.779
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP-0.1
Synonyms(1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9-yl)-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide
BDBM50100416
MRS-2346
1N-methyl-4-(2-amino-6-methylamino-9H-9-purinyl)-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide
(1S,2R,3S,4R,5S)-4-(2-chloro-6-(methylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Inchi KeyGOFNEDUSCHPEBQ-RGUAOFKASA-N
Inchi IDInChI=1S/C14H17ClN6O3/c1-16-10-6-11(20-13(15)19-10)21(4-18-6)7-5-3-14(5,12(24)17-2)9(23)8(7)22/h4-5,7-9,22-23H,3H2,1-2H3,(H,17,24)(H,16,19,20)/t5-,7-,8+,9+,14+/m1/s1
PubChem CID10450691
ChEMBLCHEMBL283057
IUPHARN/A
BindingDB50100416
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
101156Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
101162Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
101163Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
101157Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
101159Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
101161Adenosine receptor A2aQ60613Adora2aMus musculus (Mouse)410
101155Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
101158Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
101160Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319

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