General
Preferred name
pentoxyverine
Synonyms
CARBETAPENTANE CITRATE ()
CARBETAPENTANE ()
Pentoxyverine Citrate ()
Pentoxyverine (citrate) ()
Carbetapentane (citrate) ()
Pentoxyverine, CB ()
Pentoxyverine hydrogen citrate ()
Toclase ()
Loucarbate ()
NSC-757833 ()
P&D ID
PD013138
CAS
23142-01-0
77-23-6
Tags
natural product
drug
available
Approved by
FDA
Drug Status
investigational
approved
withdrawn
Max Phase
Phase 4
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 High affinity σ1 ligand (Tocriscreen Total)
DESCRIPTION Opioid receptor ligand with high affinity toward sigma1 sites; antitussive (LOPAC library)
DESCRIPTION Pentoxyverine Citrate is an antitussive (cough suppressant) commonly used for cough associated with illnesses like common cold.It is sold over-the-counter in the United States as Solotuss,or in combination with other medications, especially decongestants. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
22
BOC Sciences Bioactive Compounds
pentoxyverine-citrate-cas-23142-01-0-367306
Cayman Chemical Bioactives
18606
ChEMBL Approved Drugs
CHEMBL1256696
CHEMBL73234
ChEMBL Drugs
CHEMBL1256696
CHEMBL73234
Drug Repurposing Hub
DrugBank
DB11186
DrugBank Approved Drugs
DB11186
DrugCentral
494
DrugCentral Approved Drugs
494
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS100566
Ki Database
CARBETAPENTANE
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1256696
CHEMBL73234
MedChem Express Bioactive Compound Library
HY-B1055
HY-134004
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
carbetapentane
TargetMol Bioactive Compound Library
T0464
The Spectrum Collection
Tocriscreen Total
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
333.23
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
1
cLogP
3.4
TPSA
38.77
Fraction CSP3
0.65
Chiral centers
0.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
sigma1
Pathway
Neuroscience
GPCR/G protein
Neuronal Signaling
Target
AChR
CHRM2
mAChR
Sigma Receptor
Indication
common cold, nasal congestion, bronchitis
Disease Area
otolaryngology, pulmonary
MOA
acetylcholine receptor antagonist
Source data