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Ligand

NameCHEMBL3799847
Molecular formulaC20H18ClN5O4S
IUPAC name(1S,2R,3S,4R,5S)-4-[2-[2-(5-chlorothiophen-2-yl)ethynyl]-6-methoxypurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight459.905
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP1.6
SynonymsBDBM50163877
Inchi KeyAHQPOYBHVLTGSB-AQPYCOETSA-N
Inchi IDInChI=1S/C20H18ClN5O4S/c1-22-19(29)20-7-10(20)14(15(27)16(20)28)26-8-23-13-17(26)24-12(25-18(13)30-2)6-4-9-3-5-11(21)31-9/h3,5,8,10,14-16,27-28H,7H2,1-2H3,(H,22,29)/t10-,14-,15+,16+,20+/m1/s1
PubChem CID127047720
ChEMBLCHEMBL3799847
IUPHARN/A
BindingDB50163877
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
521628Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
521629Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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