General
Preferred name
BENACTYZINE
Synonyms
BENACTYZINE HYDROCHLORIDE ()
Neuroleptone ()
Tranquilline ()
Amitakon ()
Benacticina ()
P&D ID
PD009067
CAS
302-40-9
2702-56-9
57-37-4
Tags
available
drug
Drug indication
Depression
Drug Status
approved
withdrawn
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Benactyzine hydrochloride is a competitive BChE inhibitor with a Ki of 0.01 mM. Benactyzine hydrochloride is an anticholinergic drug. Benactyzine hydrochloride has the potential for organophosphate poisoning research[1][2].
DESCRIPTION Benactyzine is an antagonist of acetylcholine in the central and peripheral nervous system. Benactyzine is used as an antispasmodic. Benactyzine hydrochloride is also a butyrylcholinesterase (BChE) inhibitor with a Ki of 0.010 mM. (BOC Sciences Bioactive Compounds)
DESCRIPTION Benactyzine hydrochloride (Neuroleptone) is a centrally acting muscarinic antagonist. Benactyzine has been used in the treatment of depression and is used in research to investigate the role of cholinergic systems on behavior. (TargetMol Bioactive Compound Library)
DESCRIPTION Benactyzine is an antagonist of muscarinic acetylcholine receptor M1 and muscarinic acetylcholine receptor M2 with Ki 0,7nM in rat brain cortex and 21nM in rat heart, respectively. (Enamine Bioactive Compounds)
Cell lines
0
Organisms
2
Compound Sets
17
BOC Sciences Bioactive Compounds
benactyzine-hcl-cas-57-37-4-item-209742
ChEMBL Drugs
CHEMBL70352
Drug Repurposing Hub
DrugBank
DB09023
DrugCentral
298
DrugCentral Approved Drugs
298
DrugMAP
DM0J92L
DrugMatrix
Enamine Bioactive Compounds
EBC-49027
MedChem Express Bioactive Compound Library
HY-B1542A
NIH Clinical Collections (NCC)
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
benactyzine-hydrochloride
TargetMol Bioactive Compound Library
T2571
The Spectrum Collection
Withdrawn 2.0
DB09023
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
327.18
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
2
Aromatic Ring Count
2
cLogP
2.81
TPSA
49.77
Fraction CSP3
0.35
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
AChE
mAChR
Cholinesterase (ChE)
AChR
MOA
butyrylcholinesterase inhibitor
ATC
N
Toxicity type
NULL
Pathway
Neuroscience
Neuronal Signaling
Solubility
DMSO (Slightly, Heated), Methanol (Slightly)
Source data