General
Preferred name
XAMOTEROL
Synonyms
ICI-118587 ()
Corwin ()
Xamoterol hemifumarate ()
Xamoterol hemifumarate ()
(R)-Xamoterol ()
XAMOTEROL FUMARATE ()
ICI 118,587 ()
Ici-118587 hemifumarate ()
Ici-118,587 hemifumarate ()
ICI-118,587 ()
Xamoterol (hemifumarate) ()
P&D ID
PD013704
CAS
73210-73-8
90730-93-1
81801-12-9
69630-08-6
Tags
drug
natural product
biased GPCR ligand
available
Drug Status
approved
Drug indication
Heart failure
Discovery agent
Stimulant (cardiac)
Max Phase
Phase 4
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()] ]]
Description
(extracted from source data)
DESCRIPTION
beta antagonist
(Tocris Bioactive Compound Library)
DESCRIPTION
beta1 selective partial agonist
(Tocriscreen Plus)
DESCRIPTION
Specific beta1-Adrenoceptor specific partial agonist
(LOPAC library)
DESCRIPTION
β1 selective partial agonist
(Tocriscreen Total)
DESCRIPTION
Xamoterol hemifumarate is a third generation β1-adrenoceptor-selective partial agonist (pA2 = 7.4 - 7.8 and 5.2 - 6.2 at β1- and β2-adrenoceptors, respectively).
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
27
BiasDB
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
Guide to Pharmacology
LOPAC library
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Other bioactive compounds
Prestwick Chemical Library
ReFrame library
Tocris Bioactive Compound Library
Tocriscreen Plus
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
50
Molecular Weight
339.18
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
8
Ring Count
2
Aromatic Ring Count
1
cLogP
-0.24
TPSA
103.29
Fraction CSP3
0.56
Chiral centers
1.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Selectivity
beta1
Primary Target
Adrenergic ?1 Receptors
MOA
Agonist
ADRB1 agonist
Adrenergic Receptor agonist
Member status
virtual
Target
ADRB1
Source data
