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Ligand

NameCHEMBL3144180
Molecular formulaC11H16IN5O9P2
IUPAC name[(2R,3S,5R)-5-[2-iodo-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight551.127
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogP-2.3
SynonymsN-Methyl-2-iodo-2'-deoxyadenosine 3',5'-bisphosphoric acid
Inchi KeyJFQFIUWCEZBDNH-RRKCRQDMSA-N
Inchi IDInChI=1S/C11H16IN5O9P2/c1-13-9-8-10(16-11(12)15-9)17(4-14-8)7-2-5(26-28(21,22)23)6(25-7)3-24-27(18,19)20/h4-7H,2-3H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)/t5-,6+,7+/m0/s1
PubChem CID10745266
ChEMBLCHEMBL3144180
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
149835P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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