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 (FDA (1993), EMA (2012))
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®
Database Links
CAS Registry No. 109889-09-0 (source: Scifinder)
DrugBank Ligand DB00889
GtoPdb PubChem SID 135650322
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
Search UniChem for chemical match using the InChIKey MFWNKCLOYSRHCJ-AGUYFDCRSA-N
Search UniChem for chemicals with the same backbone MFWNKCLOYSRHCJ
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.