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Ligand

NameCHEMBL1256935
Molecular formulaC10H11ClN5Na4O13P3
IUPAC nametetrasodium;[[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular weight629.55
Hydrogen bond acceptor17
Hydrogen bond donor3
XlogPNone
Synonyms2-Chloroadenosine triphosphate tetrasodium
2-Chloroadenosine 5'-triphosphoric acid tetrasodium salt
Inchi KeyJGKMWMQAWOVZHJ-ZVQJTLEUSA-J
Inchi IDInChI=1S/C10H15ClN5O13P3.4Na/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);;;;/q;4*+1/p-4/t3-,5-,6-,9-;;;;/m1..../s1
PubChem CID52948498
ChEMBLCHEMBL1256935
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
150347P2Y purinoceptor 1P49651P2ry1Rattus norvegicus (Rat)373

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