GR79236   

GtoPdb Ligand ID: 3288

Synonyms: GR 79236 | N-[(1s,2s)-2-hydroxycyclopentyl adenosine
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 145.78
Molecular weight 351.15
XLogP -0.3
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1CCCC1O
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1CCC[C@@H]1O
InChI InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9+,11+,12+,15+/m0/s1
InChI Key GYWXTRVEUURNEW-TVDBPQCTSA-N

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Similar Ligands
adenophostin A
Targets
IP3R1; IP3R2
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Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor; Adenosine deaminase; Adenosine kinase; Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Equilibrative nucleoside transporter 3; Plasma membrane monoamine transporter; Sodium/nucleoside cotransporter 1; Sodium/nucleoside cotransporter 2; TRPM4; phosphatidylinositol 4-kinase type 2 alpha; phosphatidylinositol 4-kinase type 2 beta... click on ligand to see complete list
adenosine 5'-monophosphate
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AMP kinase; Ecto-5'-Nucleotidase; Peroxisomal membrane protein; TRPM4
regrelor
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P2Y12 receptor
2MeSAMP
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P2Y12 receptor; P2Y13 receptor
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P2Y1 receptor
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P2Y1 receptor
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P2Y1 receptor
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A1 receptor; A2A receptor; A2B receptor; A3 receptor
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A2A receptor
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A2A receptor
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A2A receptor
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A2A receptor
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A2A receptor
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A1 receptor; A2A receptor; A2B receptor; A3 receptor
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A1 receptor; A2A receptor; A2B receptor; A3 receptor
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A1 receptor
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A1 receptor; A2A receptor; A2B receptor; A3 receptor
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S-Adenosylmethionine carrier; S-Adenosylmethionine decarboxylase
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Equilibrative nucleoside transporter 3; Sodium/nucleoside cotransporter 2; ribonucleotide reductase catalytic subunit M1; ribonucleotide reductase regulatory subunit M2
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Equilibrative nucleoside transporter 3
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Equilibrative nucleoside transporter 1
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Equilibrative nucleoside transporter 1
tubercidin
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Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Equilibrative nucleoside transporter 3
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Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Sodium/nucleoside cotransporter 2
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S-adenosyl-L-methioninamine
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Histidine decarboxylase
2',5'-dideoxyadenosine
5'-dAMP
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Ecto-5'-Nucleotidase
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S-Adenosylhomocysteine hydrolase
DRB
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Casein kinase 2
3-deazaadenosine
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S-Adenosylhomocysteine hydrolase
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Adenosine deaminase
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A1 receptor; A2A receptor; A2B receptor; A3 receptor
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A3 receptor
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A1 receptor; A2A receptor
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A1 receptor; A2A receptor; A2B receptor; A3 receptor
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A1 receptor; A2A receptor; A2B receptor; A3 receptor
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A1 receptor; A2A receptor; A2B receptor; A3 receptor
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A1 receptor; A2A receptor; A2B receptor; A3 receptor
[3H]HEMADO
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A3 receptor
triciribine
5-Cl-5-deoxy-(±)-ENBA
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A1 receptor
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ribonucleotide reductase catalytic subunit M1; ribonucleotide reductase regulatory subunit M2
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DNA methyltransferase 1; DOT1 like histone lysine methyltransferase
AB-NECA
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A2B receptor
DS-437
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protein arginine methyltransferase 5 ; protein arginine methyltransferase 7
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protein arginine methyltransferase 5