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Ligand

NameCHEMBL603128
Molecular formulaC12H15ClN5O6P
IUPAC name[(1S,2R,3S,4R,5S)-4-(6-amino-2-chloropurin-9-yl)-2,3-dihydroxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Molecular weight391.705
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP-2.1
SynonymsCHEMBL2112090
(1''S,2''R,3''S,4''R,5''S)-4-(6-Amino-2-chloro-9H-purin-9-yl)-1-[phosphoryloxymethyl]bicyclo[3.1.0]hexane-2,3-diol
MRS-2339
BDBM50308552
SCHEMBL12269663
[ Show all ]
Inchi KeyFTSUGKZNIRUKKK-OFVUKCMBSA-N
Inchi IDInChI=1S/C12H15ClN5O6P/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-24-25(21,22)23/h3-4,6-8,19-20H,1-2H2,(H2,14,16,17)(H2,21,22,23)/t4-,6-,7+,8+,12-/m1/s1
PubChem CID46229259
ChEMBLCHEMBL603128
IUPHARN/A
BindingDB50308552, 50409525
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
87027P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362
87028P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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