NAXIFYLLINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: B3G45WC37L

Structure
InChI Key OQCJPFYWFGUHIN-GJKBLCTNSA-N
Smile CCCn1c(=O)c2nc([C@H]3C[C@H]4C[C@@H]3[C@@H]3O[C@H]43)[nH]c2n(CCC)c1=O
InChI
InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)/t9-,10+,11+,13-,14+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24N4O3
Molecular Weight 344.42
AlogP 1.6
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 85.21
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adenosine A1 receptor antagonist PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989819
FDA SRS B3G45WC37L
PubChem 9841075
SureChEMBL SCHEMBL3698574
ZINC ZINC000033982429
CONTENTS