General Information of the Compound
| Compound ID |
CP0018686
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| Compound Name |
(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide
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| Synonyms |
1-Deoxy-1-(6-(((3-iodophenyl)methyl)amino)-9H-purin-9-yl)-N-methyl-beta-D-ribofuranuronamide
152918-18-8
3-IB-MECA
3-IB-Meca
3-iodobenzyl-5'-N-methylcarboxamidoadenosine
30679UMI0N
CF 101
CF-101
CHEBI:73286
CHEMBL119709
Cf101
IB-MECA
IB-Meca
N(6)-(3-Iodobenzyl)adenosine-5'-N-methyluronamide
N(6)-(3-iodo-benzyl)adenosine-5'-N-methyluronamide
N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine
N(6)-Ibamu
Piclidenoson
RPR-113090
UNII-30679UMI0N
piclidenoson
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| Structure |
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| Formula |
C18H19IN6O4
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| Molecular Weight |
510.292
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| Canonical SMILES |
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
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| InChI |
InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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| InChIKey |
HUJXGQILHAUCCV-MOROJQBDSA-N
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| CAS |
152918-18-8
215462-30-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00840, Adenosine receptor A1
Cell-based Assay
Protein ID: PT05020, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Protein ID: PT06256, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Protein ID: PT05025, Adenosine receptor A3
Protein ID: PT01827, Adenosine receptor A3
Protein ID: PT06109, Geminin
Clinical Information about the Compound
Drug 1 ( IB-MECA )
| Drug Name | IB-MECA | ||
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| Indication | |||
| Target(s) |
Adenosine A3 receptor (ADORA3)
Agonist
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