Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 103G5E953K

Structure

InChI Key GWVQGVCXFNYGFP-PFHKOEEOSA-N
Smile CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
InChI
InChI=1S/C17H24N6O4/c1-2-18-16(26)13-11(24)12(25)17(27-13)23-8-21-10-14(19-7-20-15(10)23)22-9-5-3-4-6-9/h7-9,11-13,17,24-25H,2-6H2,1H3,(H,18,26)(H,19,20,22)/t11-,12+,13-,17+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24N6O4
Molecular Weight 376.42
AlogP -0.06
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 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adenosine A1 receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 2 D001281 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107371
DrugBank DB16325
EPA CompTox DTXSID00149201
FDA SRS 103G5E953K
PubChem 3082555
SureChEMBL SCHEMBL2544415