General
Preferred name
CGP 20712A
Synonyms
CGP 20712A methanesulfonate ()
CGP-20712A METHANESULFONATE ()
CGP 20712-A ()
CGP 20712 dihydrochloride ()
CGP 20712 (mesylate) ()
CGP 20712 A ()
CGP-20712A ()
P&D ID
PD046531
CAS
1216905-73-5
81015-67-0
105737-62-0
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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
Selective beta1-adrenoceptor antagonist
(LOPAC library)
DESCRIPTION
Potent group I mGlu antagonist
(Tocris Bioactive Compound Library)
DESCRIPTION
CGP 20712 dihydrochloride is a potent and selective β1-adrenoceptor antagonist (IC50 = 0.7 nM) with 10,000-fold selectivity over β2-adrenoceptors.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
13
BOC Sciences Bioactive Compounds
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugMAP
DrugMatrix
Guide to Pharmacology
Ki Database
LOPAC library
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
36
Molecular Weight
494.18
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
11
Ring Count
3
Aromatic Ring Count
3
cLogP
2.32
TPSA
131.86
Fraction CSP3
0.3
Chiral centers
1.0
Largest ring
6.0
QED
0.3
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
beta1
Primary Target
Adrenergic ?1 Receptors
MOA
Antagonist
ADRB1 antagonist
Target
Adrenergic Receptor
Pathway
GPCR/G protein
Neuronal Signaling
Member status
virtual
Source data
