OXTRIPHYLLINE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII 3K045XR58X
EPA CompTox DTXSID20894867

Structure

InChI Key RLANKEDHRWMNRO-UHFFFAOYSA-M
Smiles C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O
InChI
InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9,12);7H,4-5H2,1-3H3/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21N5O3
Molecular Weight 283.33
AlogP -1.04
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 72.68
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 13.0

Bioactivity

Mechanism of Action Action Reference
Adenosine receptor antagonist ANTAGONIST Wikipedia PubMed PubMed PubMed PubMed
Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4A
Organism : Homo sapiens
P27815 ENSG00000065989
Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Organism : Homo sapiens
Q07343 ENSG00000184588
Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4C
Organism : Homo sapiens
Q08493 ENSG00000105650
Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4D
Organism : Homo sapiens
Q08499 ENSG00000113448
Protein: Phosphodiesterase 3
Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
Organism : Homo sapiens
Q13370 ENSG00000152270
Protein: Phosphodiesterase 3
Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Organism : Homo sapiens
Q14432 ENSG00000172572

Cross References

Resources Reference
ChEBI 15354
ChEMBL CHEMBL1200434
DrugBank DB01303
FDA SRS 3K045XR58X
Guide to Pharmacology 4551
KEGG C00114
PDB CHT
SureChEMBL SCHEMBL152854
ZINC ZINC03079337
CONTENTS