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Ligand

NameCHEMBL1083256
Molecular formulaC25H43N6O20P3
IUPAC nameN,N-diethylethanamine;[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Molecular weight840.562
Hydrogen bond acceptor21
Hydrogen bond donor9
XlogPNone
SynonymsN/A
Inchi KeyCSFOGBZJBHSYFU-CNAMJEKYSA-N
Inchi IDInChI=1S/C19H28N5O20P3.C6H15N/c1-38-22-10-2-4-23(18(30)20-10)16-14(28)12(26)8(41-16)6-39-45(32,33)43-47(36,37)44-46(34,35)40-7-9-13(27)15(29)17(42-9)24-5-3-11(25)21-19(24)31;1-4-7(5-2)6-3/h2-5,8-9,12-17,26-29H,6-7H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H,20,22,30)(H,21,25,31);4-6H2,1-3H3/t8-,9-,12-,13-,14-,15-,16-,17-;/m1./s1
PubChem CID46890112
ChEMBLCHEMBL1083256
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
49429P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
49427P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
49428P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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