TRABODENOSON

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1T237110W4

Structure
InChI Key AQLVRTWKJDTWQQ-SDBHATRESA-N
Smile O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
InChI
InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20N6O6
Molecular Weight 380.36
AlogP 0.01
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 157.69
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adenosine A1 receptor agonist PubMed Other
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 Mesh ID Reference
Ocular Hypertension 3 D009798 ClinicalTrials
Glaucoma, Open-Angle 3 D005902 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 871108-05-3
ChEMBL CHEMBL3545407
DrugBank DB13122
EPA CompTox DTXSID90236139
FDA SRS 1T237110W4
PubChem 11610599
SureChEMBL SCHEMBL121828
ZINC ZINC000035931662
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