CWB
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
Find entries where: CWB
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
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Name | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide |
Synonyms | GRANISETRON |
Identifiers | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide |
Formula | C18 H24 N4 O |
Molecular Weight | 312.409 |
Type | NON-POLYMER |
Isomeric SMILES | Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C |
InChI | InChI=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- |
InChIKey | MFWNKCLOYSRHCJ-BTTYYORXSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 47 |
Chiral Atom Count | 2 |
Bond Count | 50 |
Aromatic Bond Count | 10 |
Drug Info: DrugBank
DrugBank ID | DB00889 |
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Name | Granisetron |
Groups |
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Description | A serotonin receptor (5HT-3 selective) antagonist that has been used as an antiemetic and antinauseant for cancer chemotherapy patients. |
Synonyms |
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Brand Names |
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Indication | For 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 |
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ATC-Code | A04AA02 |
CAS number | 109889-09-0 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
---|---|---|---|
5-hydroxytryptamine receptor 3A | MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVR... | unknown | antagonist |
Cytochrome P450 3A4 | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI... | unknown | substrate |
Cytochrome P450 1A1 | MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIG... | unknown | substrate |
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 Name | Reference |
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CCDC/CSD | KUQDAC |
COD | 2017497 |