APADENOSON

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: BTS1Y6777M

Structure
InChI Key FLEVIENZILQUKB-XTWQNQIISA-N
Smile CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC[C@H]4CC[C@H](C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O
InChI
InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30N6O6
Molecular Weight 486.53
AlogP -0.12
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 174.71
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adenosine A2a receptor agonist PubMed 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
- - - 1-1 -

Indications

Mesh Heading Maximum Phase Reference
Cardiovascular Diseases; Coronary Artery Disease; Heart Diseases; Myocardial Ischemia Phase 2 ClinicalTrials
Coronary Artery Disease Phase 3 ClinicalTrials
Coronary Artery Disease; Heart Diseases; Myocardial Ischemia Phase 3 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 250386-15-3
ChEMBL CHEMBL1950649
DrugBank DB05009
FDA SRS BTS1Y6777M
Guide to Pharmacology 3290
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