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Ligand

NameCHEMBL1256935
Molecular formulaC10H11ClN5O13P3-4
IUPAC name[[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular weight537.591
Hydrogen bond acceptor17
Hydrogen bond donor3
XlogP-5.1
SynonymsNCGC00162130-01
BDBM50422406
NCGC00162130-02
Inchi KeyRNGCVFCOKZEZFL-UUOKFMHZSA-J
Inchi IDInChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/p-4/t3-,5-,6-,9-/m1/s1
PubChem CID23279503
ChEMBLN/A
IUPHARN/A
BindingDB50422406
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
300461P2Y purinoceptor 1P49651P2ry1Rattus norvegicus (Rat)373

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