granisetron

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Ligands
granisetron

Ligand id: 2300

Name: granisetron

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	3
Topological polar surface area	50.16
Molecular weight	312.2
XLogP	2.57
No. Lipinski's rules broken	0

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic
Approved drug?	Yes (source: FDA (1993), EMA (2012))

IUPAC Name
1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide

IUPAC Name

1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide

International Nonproprietary Names
INN number	INN
6230	granisetron

Synonyms
BRL 43694
BRL-43694
Kytril®
LY-278584
Sancuso®
Sustol®

Synonyms

BRL 43694

BRL-43694

Kytril®

LY-278584

Sancuso®

Sustol®

Database Links
CAS Registry No.	109889-09-0 (source: Scifinder)
DrugBank Ligand	DB00889
PharmGKB Drug	PA449809
PubChem CID	5284566
Search Google for chemical match using the InChIKey	MFWNKCLOYSRHCJ-AGUYFDCRSA-N
Search Google for chemicals with the same backbone	MFWNKCLOYSRHCJ
Search PubMed clinical trials	granisetron
Search PubMed titles	granisetron
Search PubMed titles/abstracts	granisetron
Wikipedia	Granisetron

Comments
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.

Comments

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.