tecadenoson   Click here for help

GtoPdb Ligand ID: 5592

Compound class: Synthetic organic
Comment: Tecadenoson is a selective agonist for the adenosine A1 receptor (ADORA1) [1].
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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 4
Topological polar surface area 134.78
Molecular weight 337.14
XLogP -0.96
No. Lipinski's rules broken 0
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Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1COCC1
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1COCC1
InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/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
8179 tecadenoson
Database Links Click here for help
Specialist databases
GPCRdb Ligand tecadenoson
Other databases
CAS Registry No. 204512-90-3 (source: Scifinder)
ChEMBL Ligand CHEMBL392149
GtoPdb PubChem SID 178102227
PubChem CID 158795
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UniChem Compound Search for chemical match using the InChIKey OESBDSFYJMDRJY-BAYCTPFLSA-N
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