AMINOPHYLLINE

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Trade Names
Synonyms
Status
Molecule Category Mixture
ATC R03DA05
UNII 27Y3KJK423
EPA CompTox DTXSID40883359

Structure

InChI Key FQPFAHBPWDRTLU-UHFFFAOYSA-N
Smiles Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN
InChI
InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H24N10O4
Molecular Weight 420.43
AlogP -1.04
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Polar Surface Area 72.68
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Adenosine receptor antagonist ANTAGONIST PubMed PubMed PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 5 Cytochrome P450 family 5A Cytochrome P450 5A1
- - - - 0-0
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
- - - - 34
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- - - - 34
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4C
- - - - 34
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- - - - 34
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - - 34
Cavia porcellus
- - - - 21-87
Oryctolagus cuniculus
- - - - 0-0
Rattus norvegicus
50 - 47.86 - -

Target Conservation

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 2659
ChEMBL CHEMBL1370561
DrugBank DB01223
FDA SRS 27Y3KJK423
PharmGKB PA164781029
PubChem 9433
SureChEMBL SCHEMBL5037
CONTENTS