General
Preferred name
tropisetron
Synonyms
SDZ-ICS 930 ()
Tropisetron HCl ()
ICS 205-930 ()
TROPISETRON HYDROCHLORIDE ()
Tropisetron (Hydrochloride) ()
SDZ-ICS-930 ()
SDZ-ICS-930 (free base) ()
Novaban ()
Tropisetron monohydrochloride ()
ICS-205-930 ()
Navoban ()
Tropisetron (as hydrochloride) ()
NSC-759842 ()
Tropisetron (hydrochloride) ()
Tropisetron-d5 ()
P&D ID
PD013759
CAS
105826-92-4
89565-68-4
1220284-86-5
Tags
natural product
drug
available
First approval
1992
Drug Status
investigational
approved
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 There is some ambiguity in the literature as to the exact stereochemistry of tropisetron. The structure shown here matches the INN-assigned structure and is the same as the the ChEBI and ChEMBL entries linked to above. There is no exact match in PubChem for the structure shown here. (GtoPdb)
Cell lines
0
Organisms
2
Compound Sets
21
Cayman Chemical Bioactives
21240
30736
ChEMBL Approved Drugs
CHEMBL56564
ChEMBL Drugs
CHEMBL56564
Concise Guide to Pharmacology 2017/18
260
Concise Guide to Pharmacology 2019/20
260
Concise Guide to Pharmacology 2021/22
260
Concise Guide to Pharmacology 2023/24
260
Drug Repurposing Hub
DrugBank
DB11699
DrugBank Approved Drugs
DB11699
DrugCentral
2775
DrugCentral Approved Drugs
2775
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS100327
Guide to Pharmacology
260
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL56564
MedChem Express Bioactive Compound Library
HY-B0020
HY-B0072
NIH Clinical Collections (NCC)
NPC Screening Collection
Selleckchem Bioactive Compound Library
tropisetron
TargetMol Bioactive Compound Library
T1173
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
284.15
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
2
cLogP
2.95
TPSA
45.33
Fraction CSP3
0.47
Chiral centers
3.0
Largest ring
6.0
QED
0.86
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Neuroscience
Neuronal Signaling
Membrane Transporter/Ion Channel
Target
5-HT
GLRA1, GLRA2, GLRB, HTR3A, HTR4
5-HT Receptor
nAChR
5-HT Receptor,AChR
MOA
5-HT Receptor antagonist
serotonin receptor antagonist
Indication
nausea, vomiting
Source data