General
Preferred name
WB 4101
Synonyms
WB-4101 hydrochloride ()
WB 4101 hydrochloride ()
WB-4101 ()
2- (2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE HYDROCHLORIDE (WB 4101) ()
WB 4101 (hydrochloride) ()
P&D ID
PD050991
CAS
2170-58-3
613-67-2
Tags
drug candidate
natural product
available
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
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)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
2
Compound Sets
14
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
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
LOPAC library
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
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
Source data
