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Ligand

NameCHEMBL607612
Molecular formulaC13H24BN5O12P3-
IUPAC name[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]-trimethylboranuide
Molecular weight546.089
Hydrogen bond acceptor17
Hydrogen bond donor6
XlogPNone
SynonymsBDBM50370180
Inchi KeyWVYASIPQWAAUCC-ZLLIFHTASA-N
Inchi IDInChI=1S/C13H24BN5O12P3/c1-14(2,3)32(22,30-34(26,27)31-33(23,24)25)28-4-7-9(20)10(21)13(29-7)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,4H2,1-3H3,(H,26,27)(H2,15,16,17)(H2,23,24,25)/q-1/t7-,9-,10-,13?,32?/m1/s1
PubChem CID46876731
ChEMBLN/A
IUPHARN/A
BindingDB50370180
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
383647P2Y purinoceptor 1P49651P2ry1Rattus norvegicus (Rat)373

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