inosine   

GtoPdb Ligand ID: 4554

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 133.49
Molecular weight 268.08
XLogP -0.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1[nH]cnc2=O
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]cnc2=O
InChI InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
InChI Key UGQMRVRMYYASKQ-KQYNXXCUSA-N

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Similar Ligands
GTPγS
Targets
Maxi Cl-; VRAC
MRS2768
Targets
P2Y2 receptor
MRS4062
Targets
P2Y4 receptor
2-thioUTP
Targets
P2Y2 receptor
MRS2690
Targets
P2Y14 receptor
cADPR
Targets
TRPM2
guanosine 5'-diphosphate
Targets
Kir6.1; Vesicular nucleotide transporter
cyclic GMP
Targets
CNGA1; CNGA2; CNGA3; HCN2; HCN4; phosphodiesterase 11A; phosphodiesterase 1C; phosphodiesterase 2A; phosphodiesterase 3A; phosphodiesterase 3B; phosphodiesterase 4D; phosphodiesterase 5A; phosphodiesterase 7A; phosphodiesterase 7B; phosphodiesterase 8B... click on ligand to see complete list
UDP-β-S
Targets
P2Y6 receptor
Up3U
Targets
P2Y6 receptor
UDP N-acetyl-glucosamine
Targets
P2Y14 receptor; UDP-N-acetylglucosamine transporter; UDP-galactose transporter; YEA
UDP-galactose
Targets
GPR17; P2Y14 receptor; UDP-galactose transporter
UDP-glucose
Targets
GPR17; P2Y14 receptor
UDP-glucuronic acid
Targets
P2Y14 receptor; UDP-glucuronic acid/UDP-N-acetylgalactosamine dual transporter
uridine diphosphate
Targets
GPR17; Kir6.1; P2Y14 receptor; P2Y6 receptor
diquafosol
Targets
P2Y2 receptor; P2Y4 receptor
denufosol
Targets
P2Y2 receptor; P2Y4 receptor
(N)methanocarba-UTP
Targets
P2Y4 receptor
CTP
Targets
P2Y4 receptor
guanosine-5'-triphosphate
Targets
Kir6.1; P2Y4 receptor; Vesicular nucleotide transporter
ITP
Targets
P2Y4 receptor
3-phenacyl-UDP
Targets
P2Y6 receptor
INS48823
Targets
P2Y6 receptor
MRS2693
Targets
P2Y6 receptor
MRS2782
Targets
P2Y6 receptor
4-thio-UTP
Targets
P2Y2 receptor
MRS2698
Targets
P2Y2 receptor
uridine triphosphate
Targets
P2Y11 receptor; P2Y2 receptor; P2Y4 receptor; P2Y6 receptor
UTPγS
Targets
P2Y2 receptor; P2Y4 receptor
GDP-fucose
Targets
GDP-Fucose transporter
UDP-xylose
Targets
YEA
CMP-sialic acid
Targets
CMP-sialic acid transporter
didanosine
Targets
Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 3; Sodium/nucleoside cotransporter 2; Solute carrier family 28 member 3
5-fluorouridine
Targets
Solute carrier family 28 member 3
uridine
Targets
Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Equilibrative nucleoside transporter 3; Sodium-dependent nucleobase transporter; Sodium/nucleoside cotransporter 1; Solute carrier family 28 member 3
zidovudine
Targets
Equilibrative nucleoside transporter 2; Equilibrative nucleoside transporter 3; Sodium/nucleoside cotransporter 1; Solute carrier family 28 member 3
thymidine
Targets
Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Equilibrative nucleoside transporter 3; Sodium/nucleoside cotransporter 1; Sodium/nucleoside cotransporter 2; Solute carrier family 28 member 3
floxuridine
Targets
Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 3; Solute carrier family 28 member 3
pentostatin
Targets
Adenosine deaminase; Equilibrative nucleoside transporter 1
UDP-N-acetylgalactosamine
Targets
HFRC1; UDP-glucuronic acid/UDP-N-acetylgalactosamine dual transporter
loxoribine
Targets
TLR7
poly(I:C)
Targets
TLR3
5'-UMP
Targets
Ecto-5'-Nucleotidase
5'-GMP
Targets
Ecto-5'-Nucleotidase
5'-inosine monophosphate
Targets
Ecto-5'-Nucleotidase
5'-dGMP
Targets
Ecto-5'-Nucleotidase
Rp-8-CPT-cGMPS
Targets
Protein kinase G (PKG) 1
2'-deoxyinosine
GDPβS
PSB1114
Targets
P2Y2 receptor
MRS2957
Targets
P2Y6 receptor
MRS2905
Targets
P2Y14 receptor
MRS2802
Targets
P2Y14 receptor
MRS2927
Targets
P2Y4 receptor
N4-phenylethoxycytidine-5'-triphosphate
Targets
P2Y4 receptor
2-thio-UDP
Targets
P2Y14 receptor
α.β-methylene-2-thio-UDP
Targets
P2Y14 receptor
cyclic CMP
Targets
HCN2
5BrUTP
Targets
P2Y2 receptor; P2Y6 receptor
nelarabine
trifluridine
agatolimod
Targets
TLR9
Rp-8-Br-cGMPS
Targets
null