piclidenoson   Click here for help

GtoPdb Ligand ID: 422

Abbreviated name: IB-MECA
Synonyms: CF 101 | CF101 | N(6)-ibamu
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Piclidenoson is a selective agonist of the adenosine A3 receptor. It has anti-inflammatory action which is being investigated for translation to the clinic [2].
Early investigations revealed anti-cancer effects [1,5,12].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 134.42
Molecular weight 510.05
XLogP 2.2
No. Lipinski's rules broken 0
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Canonical SMILES CNC(=O)C1OC(C(C1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I
Isomeric SMILES CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I
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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10136 piclidenoson
Synonyms Click here for help
CF 101 | CF101 | N(6)-ibamu
Database Links Click here for help
BindingDB Ligand 50118812
CAS Registry No. 152918-18-8 (source: Scifinder)
ChEMBL Ligand CHEMBL119709
GtoPdb PubChem SID 135650362
PubChem CID 123683
Search Google for chemical match using the InChIKey HUJXGQILHAUCCV-MOROJQBDSA-N
Search Google for chemicals with the same backbone HUJXGQILHAUCCV
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UniChem Compound Search for chemical match using the InChIKey HUJXGQILHAUCCV-MOROJQBDSA-N
UniChem Connectivity Search for chemical match using the InChIKey HUJXGQILHAUCCV-MOROJQBDSA-N

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IB-MECA (links to external site)
Cat. No. 1066