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Ligand

NameMRS-4062
Molecular formulaC18H26N3O15P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(3-phenylpropoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight617.333
Hydrogen bond acceptor15
Hydrogen bond donor7
XlogP-3.7
SynonymsMRS 4062
BDBM50345486
N4-Phenylpropoxycytidine-5''-triphosphate
D06PIW
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(3-phenylpropoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
[ Show all ]
Inchi KeyFAYLMQPZASAIOS-MWQQHZPXSA-N
Inchi IDInChI=1S/C18H26N3O15P3/c22-15-13(11-33-38(28,29)36-39(30,31)35-37(25,26)27)34-17(16(15)23)21-9-8-14(19-18(21)24)20-32-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,13,15-17,22-23H,4,7,10-11H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t13-,15-,16-,17-/m1/s1
PubChem CID53262902
ChEMBLCHEMBL1784894
IUPHAR4044
BindingDB50345486
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
73967P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
73968P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
73966P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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