General
Preferred name
WB 4101
Synonyms
WB-4101 hydrochloride ()
WB 4101 hydrochloride ()
WB-4101 ()
(±)-WB 4101 (hydrochloride) ()
2- (2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE HYDROCHLORIDE (WB 4101) ()
WB 4101 (hydrochloride) ()
(¡À)-WB 4101 (hydrochloride) ()
P&D ID
PD050991
CAS
2170-58-3
613-67-2
Tags
available
drug candidate
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION (¡À)-WB 4101 is a potent antagonist of noradrenaline. (¡À)-WB 4101 interacts with protein in smooth muscle. (¡À)-WB 4101 makes drug and receptor bind tightly[1].
DESCRIPTION alpha1A Adrenoceptor antagonist (LOPAC library)
DESCRIPTION α1A antagonist (Tocriscreen Total)
DESCRIPTION WB 4101 hydrochloride is a selective α1A-adrenergic receptor antagonist. (BOC Sciences Bioactive Compounds)
Cell lines
1
Organisms
2
Compound Sets
15
BOC Sciences Bioactive Compounds
wb-4101-hydrochloride-cas-2170-58-3-366823
Cayman Chemical Bioactives
29528
Concise Guide to Pharmacology 2017/18
499
Concise Guide to Pharmacology 2019/20
499
Concise Guide to Pharmacology 2021/22
499
Concise Guide to Pharmacology 2023/24
499
DrugMAP
DMQU8B1
DrugMatrix
Guide to Pharmacology
499
LOPAC library
Mcule NIBR MoA Box Subset
MCULE-7553674382
MedChem Express Bioactive Compound Library
HY-12718A
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Tocriscreen Total
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
345.16
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
2
cLogP
2.51
TPSA
58.18
Fraction CSP3
0.37
Chiral centers
1.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
alpha1A
Member status
virtual
MOA
alpha1-Adrenoceptor Antagonists
Target
Adrenergic Receptor
Pathway
GPCR/G protein
Neuronal Signaling
Source data