EVODENOSON

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: HZ03U10J2Z

Structure
InChI Key SQJXTUJMBYVDBB-RQXXJAGISA-N
Smile COC(=O)N1CCC(CC#Cc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)[C@@H](O)[C@H]4O)c3n2)CC1
InChI
InChI=1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H29N7O6
Molecular Weight 499.53
AlogP -0.47
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 177.95
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 36.0

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
- - 1 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glaucoma, Open-Angle 1 D005902 ClinicalTrials
Ocular Hypertension 1 D009798 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1950651
DrugBank DB12295
EPA CompTox DTXSID40233476
FDA SRS HZ03U10J2Z
Guide to Pharmacology 5594
SureChEMBL SCHEMBL1002036
CONTENTS