General
Preferred name
PITOFENONE
Synonyms
Pitofenonum ()
Baralgin Ketone Hydrochloride ()
Pitophenone hydrochloride ()
Pitofenone hydrochloride ()
Pitofenone (hydrochloride) ()
P&D ID
PD013578
CAS
1248-42-6
54063-52-4
Tags
available
drug
Drug Status
experimental
approved
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
Pitofenone is an antispasmodic agent and an inhibitor of acetylcholinesterase (AChE). It is commonly used in combination with fenpiverinium bromide and metamizole sodium for the treatment of pain and spasms of smooth muscles.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
10
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
Molecular Weight
367.18
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
2
cLogP
3.57
TPSA
55.84
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
Neuronal Signaling
Target
AChE
Cholinesterase (ChE)
MOA
AChR
Source data
