General
Preferred name
ETOFYLLINE
Synonyms
7-HYDROXYETHYLTHEOPHYLLINE ()
7-(¦Â-Hydroxyethyl)theophylline ()
7-Theophyllineethanol ()
7-(??-Hydroxyethyl)theophylline ()
Aethophyllinum ()
Cordalin ()
Oxyphylline ()
7-(??Hydroxyethyl)theophylline ()
BETA-HYDROXYETHYL THEOPHYLLINE ()
7-(β-Hydroxyethyl)theophylline ()
Aethophyllinum, Cordalin, Oxyphylline ()
Oxyethyltheophylline ()
NSC-113373 ()
Phyllocormin n ()
Theopropanol ()
Theophylline isopropanolamine ()
Doxophylline metabolite m4 ()
Oxyphyllin ()
Frekaphyllin ()
Theophylline related compound f ()
KT-200G ()
Soluphylline ()
7-(?-Hydroxyethyl)theophylline ()
7-(?-Hydroxyethyl)theophylline-d6 ()
P&D ID
PD000042
CAS
519-37-9
Tags
natural product
drug
available
Drug indication
Discovery agent
Drug Status
approved
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
14
ChEMBL Drugs
Drug Repurposing Hub
DrugCentral
DrugCentral Approved Drugs
DrugMAP
Enamine BioReference Compounds
Ki Database
MedChem Express Bioactive Compound Library
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
224.09
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
-1.57
TPSA
82.05
Fraction CSP3
0.44
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
asthma, bronchitis
Target
ADORA1
MOA
Adenosine Receptor antagonist
Source data
