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Ligand

NameCHEMBL608748
Molecular formulaC20H29N5O5
IUPAC name6-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
Molecular weight419.482
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP1.0
SynonymsBDBM50366242
Inchi KeyAMGMDPCLHVPPRU-TVODSTBQSA-N
Inchi IDInChI=1S/C20H29N5O5/c26-8-13-15(27)16(28)19(30-13)25-9-21-14-17(23-20(29)24-18(14)25)22-12-6-5-10-3-1-2-4-11(10)7-12/h9-13,15-16,19,26-28H,1-8H2,(H2,22,23,24,29)/t10?,11?,12?,13-,15-,16-,19?/m1/s1
PubChem CID46876693
ChEMBLCHEMBL608748
IUPHARN/A
BindingDB50366242
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
8859Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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