General
Preferred name
THEODRENALINE
Synonyms
(¡À)?-?Theodrenaline ()
(??)?-?Theodrenaline ()
Theodrenaline (hydrochloride) ()
(±)?-?Theodrenaline (hydrochloride) ()
Noradrenaline theophylline ()
P&D ID
PD072745
CAS
13460-98-5
2572-61-4
Tags
natural product
drug
available
Drug Status
investigational
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
7
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
MedChem Express Bioactive Compound Library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
375.15
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
4
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
3
cLogP
-0.83
TPSA
134.54
Fraction CSP3
0.35
Chiral centers
1.0
Largest ring
6.0
QED
0.33
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Phosphodiesterase (PDE)
Source data
