dyphylline   Click here for help

GtoPdb Ligand ID: 7070

Synonyms: Dilor®
Approved drug Immunopharmacology Ligand
dyphylline is an approved drug (FDA (1951))
Compound class: Metabolite
Comment: Dyphylline is a bronchodilator and vasodilator.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 102.28
Molecular weight 254.1
XLogP 0.17
No. Lipinski's rules broken 0
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Canonical SMILES OCC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O
Isomeric SMILES OCC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O
InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
Classification Click here for help
Compound class Metabolite
Approved drug? Yes (FDA (1951))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1365 diprophylline
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 479-18-5
ChEMBL Ligand CHEMBL1752
DrugBank Ligand DB00651
DrugCentral Ligand 976
GtoPdb PubChem SID 178103649
PubChem CID 3182
Search Google for chemical match using the InChIKey KSCFJBIXMNOVSH-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey KSCFJBIXMNOVSH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KSCFJBIXMNOVSH-UHFFFAOYSA-N
Wikipedia Dyphylline