Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 30679UMI0N

Structure

InChI Key JTZRECOPNKCRTE-MOROJQBDSA-N
Smile CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(I)cc4)ncnc32)[C@H](O)[C@@H]1O
InChI
InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19IN6O4
Molecular Weight 510.29
AlogP 0.41
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 134.42
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adenosine A3 receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 3 D001172 ClinicalTrials
Dry Eye Syndromes 3 D015352 ClinicalTrials
Psoriasis 3 D011565 ClinicalTrials
Ocular Hypertension 2 D009798 ClinicalTrials
Uveitis, Posterior 2 D015866 ClinicalTrials
Glaucoma 2 D005901 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Osteoarthritis, Knee 2 D020370 ClinicalTrials
Uveitis, Intermediate 2 D015867 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989873
FDA SRS 30679UMI0N
PubChem 123683