General
Preferred name
ALOSETRON
Synonyms
Alosetron (D3 Hydrochloride) ()
Alosetron ((Z)-2-butenedioate) ()
GR-68755C D3 ()
GR 68755 ((Z)-2-butenedioate) ()
GR 68755X ((Z)-2-butenedioate) ()
GR 68755 ()
GR 68755X ()
GR 68755C ()
Lotronex ()
ALOSETRON HYDROCHLORIDE ()
Alosetron (Hydrochloride) ()
Alosetron HCl ()
GR 68755 (Hydrochloride) ()
GR 68755X (Hydrochloride) ()
GR 68755C, GR 68755, GR 68755X, Lotronex, GR-68755, GR68755 ()
Alosetron Hydrochloride(1:X) ()
Alosetron (Z)-2-butenedioate ()
Lotrpnex ()
GR-68755C ()
A03AE01 ()
Alosetron (hydrochoride) ()
P&D ID
PD009613
CAS
122852-69-1
122852-42-0
132414-02-9
122852-43-1
Tags
natural product
drug
available
Approved by
FDA
First approval
2000
Drug Status
approved
withdrawn
Drug indication
Irritable bowel syndrome
Anti-Emetic
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DESCRIPTION Having been withdrawn by the manufacturer in 2000 following reports of severe adverse effects, the FDA approved a supplemental new drug application (2002) which allows remarketing of the drug, but under conditions of restricted use. (GtoPdb)
DESCRIPTION Alosetron, an effective 5-HT3 receptor antagonist, could be commonly used against irritable bowel syndrome. (BOC Sciences Bioactive Compounds)
DESCRIPTION The hydrochloride salt form of Alosetron, a 5HT3-receptor antagonist, could be used against bowel syndrome. (BOC Sciences Bioactive Compounds)
DESCRIPTION The maleic acid salt form of Alosetron which is an effective 5-HT3 receptor antagonist and could be commonly used against irritable bowel syndrome. (BOC Sciences Bioactive Compounds)
Compound Sets
31
AdooQ Bioactive Compound Library
A14989
A11310
Axon Medchem Screening Library
1097
BOC Sciences Bioactive Compounds
alosetron-hydrochloride-1-x-cas-132414-02-9-item-457908
alosetron-cas-122852-42-0-item-56240
alosetron-z-2-butenedioate-cas-122852-43-1-item-457703
Cayman Chemical Bioactives
22434
ChEMBL Approved Drugs
CHEMBL1200885
CHEMBL1110
ChEMBL Drugs
CHEMBL1200885
CHEMBL1110
Concise Guide to Pharmacology 2017/18
2296
Concise Guide to Pharmacology 2019/20
2296
Concise Guide to Pharmacology 2021/22
2296
Concise Guide to Pharmacology 2023/24
2296
Drug Repurposing Hub
DrugBank
DB00969
DrugBank Approved Drugs
DB00969
DrugCentral
129
DrugCentral Approved Drugs
129
DrugMAP
DML2A03
DrugMAP Approved Drugs
DML2A03
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS100739
Guide to Pharmacology
2296
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1110
MedChem Express Bioactive Compound Library
HY-70050C
NCATS Inxight Approved Drugs
13Z9HTH115
NIH Clinical Collections (NCC)
NPC Screening Collection
Other bioactive compounds
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
alosetron-hydrochloride
TargetMol Bioactive Compound Library
T2525
Withdrawn 2.0
w71
External IDs
62
Properties
(calculated by RDKit )
Molecular Weight
294.15
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
3
cLogP
2.41
TPSA
53.92
Fraction CSP3
0.29
Chiral centers
0.0
Largest ring
6.0
QED
0.79
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
5-HT Receptor
5-HT3
HTR3A
5-HT3 antagonist
Pathway
Neuronal Signaling
GPCR/G protein
Neuroscience
MOA
serotonin receptor antagonist
ATC
A03AE01
Toxicity type
gastrointestinal
Therapeutic Class
Gastrointestinal Agents
Solubility
10 mM in DMSO
Source data