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Ligand

NameCHEMBL286739
Molecular formulaC13H16ClN5O3
IUPAC name(1R,2R,3S,4R,5S)-4-[2-chloro-6-(methylamino)purin-9-yl]-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol
Molecular weight325.753
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP0.2
Synonyms(1R,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol
BDBM50100425
N-Methyl-2-chloro-9-[(1beta)-3alpha,4alpha-dihydroxy-5beta-(hydroxymethyl)bicyclo[3.1.0]hexane-2beta-yl]-9H-purine-6-amine
Inchi KeyFPCPEWCTMNCASH-XEMBYONJSA-N
Inchi IDInChI=1S/C13H16ClN5O3/c1-15-10-6-11(18-12(14)17-10)19(4-16-6)7-5-2-13(5,3-20)9(22)8(7)21/h4-5,7-9,20-22H,2-3H2,1H3,(H,15,17,18)/t5-,7-,8+,9+,13+/m1/s1
PubChem CID44276349
ChEMBLCHEMBL286739
IUPHARN/A
BindingDB50100425
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: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5380695-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5380665-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5380705-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5380715-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5380675-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5380685-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5380655-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5380625-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
5380615-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
5380635-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5380645-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
83910Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
83909Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
445030Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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