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Ligand

NameCHEMBL566925
Molecular formulaC10H13F2IN2O11P2
IUPAC name[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
Molecular weight564.066
Hydrogen bond acceptor13
Hydrogen bond donor6
XlogP-3.8
Synonyms({[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-iodo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-difluoro-methyl)-phosphonic acid
BDBM50303340
Inchi KeyAVZZQPCQWAZPGG-UAKXSSHOSA-N
Inchi IDInChI=1S/C10H13F2IN2O11P2/c11-10(12,27(20,21)22)28(23,24)25-2-4-5(16)6(17)8(26-4)15-1-3(13)7(18)14-9(15)19/h1,4-6,8,16-17H,2H2,(H,23,24)(H,14,18,19)(H2,20,21,22)/t4-,5-,6-,8-/m1/s1
PubChem CID45485237
ChEMBLCHEMBL566925
IUPHARN/A
BindingDB50303340
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.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15819P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338
15818P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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