General
Preferred name
BENACTYZINE
Synonyms
BENACTYZINE HYDROCHLORIDE ()
Neuroleptone ()
Tranquilline ()
Amitakon ()
P&D ID
PD009067
CAS
302-40-9
2702-56-9
57-37-4
Tags
natural product
drug
available
Drug indication
Depression
Drug Status
approved
withdrawn
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 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)
Cell lines
0
Organisms
2
Compound Sets
16
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
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Withdrawn 2.0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
44
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)
Pathway
Neuroscience
Neuronal Signaling
Target
mAChR
Cholinesterase (ChE)
AChR
MOA
butyrylcholinesterase inhibitor
ATC
N
Toxicity type
NULL
Solubility
DMSO (Slightly, Heated), Methanol (Slightly)
Source data