General
Preferred name
GRANISETRON
Synonyms
GRANISETRON HYDROCHLORIDE ()
P&D ID
PD049269
CAS
109889-09-0
107007-99-8
Tags
natural product
drug
Drug indication
Nausea and vomiting
Drug Status
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
There is some ambiguity in that the FDA label specifies 1-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide. The closest to this in PubChem is the 1S, 5R, as shown. However, the majority of the bioactivity data is linked to the enantiomer CID 3510.
(GtoPdb)
DESCRIPTION
Granisetron HCl is a serotonin 5-HT3 receptor antagonist.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
BOC Sciences Bioactive Compounds
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugMAP
DrugMAP Approved Drugs
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Molecular Weight
312.2
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
2
cLogP
2.32
TPSA
50.16
Fraction CSP3
0.56
Chiral centers
3.0
Largest ring
6.0
QED
0.93
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Therapeutic Class
Antiemetics
Source data
