Chemical Component Summary

Name1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
SynonymsGRANISETRON
Identifiers1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
FormulaC18 H24 N4 O
Molecular Weight312.409
TypeNON-POLYMER
Isomeric SMILESCn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C
InChIInChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-
InChIKeyMFWNKCLOYSRHCJ-BTTYYORXSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count2
Bond Count50
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB00889 
NameGranisetron
Groups
  • investigational
  • approved
DescriptionA serotonin receptor (5HT-3 selective) antagonist that has been used as an antiemetic and antinauseant for cancer chemotherapy patients.
Synonyms
  • Granisetron
  • Granisetrón
  • Granisetron hydrochloride
  • Granisétron
  • Granisetronum
Brand Names
  • Granisetron hydrochloride
  • Apo-granisetron
  • Kytril 1mg/1ml
  • Granisetron Hydrochloride
  • Kytril Tablets 1mg
IndicationFor the prevention of nausea and vomiting associated with initial and repeat courses of emetogenic cancer therapy (including high dose cisplatin), postoperation, and radiation (including total body irradiation and daily fractionated abdominal radiation).
Categories
  • Alimentary Tract and Metabolism
  • Antidepressive Agents
  • Antiemetic Serotonin 5-HT3 Receptor Antagonists
  • Antiemetics
  • Antiemetics and Antinauseants
ATC-CodeA04AA02
CAS number109889-09-0

Drug Targets

NameTarget SequencePharmacological ActionActions
5-hydroxytryptamine receptor 3AMLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVR...unknownantagonist
Cytochrome P450 3A4MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...unknownsubstrate
Cytochrome P450 1A1MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIG...unknownsubstrate
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
CCDC/CSD KUQDAC
COD 2017497