BINODENOSON

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LJA4M1L5LG

Structure
InChI Key XJFMHMFFBSOEPR-DNZQAUTHSA-N
Smile Nc1nc(N/N=C/C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI
InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25N7O4
Molecular Weight 391.43
AlogP 0.0
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 163.93
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adenosine A2a receptor agonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
0 - - 81-270 17

Indications

Mesh Heading Maximum Phase Reference
Coronary Artery Disease; Coronary Disease; Myocardial Ischemia Phase 3 ClinicalTrials
Coronary Artery Disease; Coronary Disease; Myocardial Ischemia Phase 3 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 144348-08-3
ChEMBL CHEMBL1950554
DrugBank DB04853
FDA SRS LJA4M1L5LG
Guide to Pharmacology 5595
PubChem 9576912
SureChEMBL SCHEMBL724955
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