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Name | Cilansetron |
---|---|
Molecular formula | C20H21N3O |
IUPAC name | (12R)-12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one |
Molecular weight | 319.408 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 0 |
XlogP | 2.6 |
Synonyms | 4H-Pyrido(3,2,1-jk)carbazol-11(8H)-one, 5,6,9,10-tetrahydro-10-((2-methyl-1H-imidazol-1-yl)methyl)-, (R)- D0Z2MB CHEMBL2103778 DU-123265 120635-74-7 [ Show all ] |
Inchi Key | NCNFDKWULDWJDS-OAHLLOKOSA-N |
Inchi ID | InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1 |
PubChem CID | 6918107 |
ChEMBL | CHEMBL2103778 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
219967 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
219980 | 5-hydroxytryptamine receptor 1B | P28564 | Htr1b | Rattus norvegicus (Rat) | 386 |
219968 | 5-hydroxytryptamine receptor 1D | P28565 | Htr1d | Rattus norvegicus (Rat) | 374 |
219977 | 5-hydroxytryptamine receptor 2C | P08909 | Htr2c | Rattus norvegicus (Rat) | 460 |
219973 | 5-hydroxytryptamine receptor 4 | Q62758 | Htr4 | Rattus norvegicus (Rat) | 406 |
219965 | 5-hydroxytryptamine receptor 5B | P35365 | Htr5b | Rattus norvegicus (Rat) | 370 |
219976 | Alpha-2A adrenergic receptor | P22909 | Adra2a | Rattus norvegicus (Rat) | 450 |
219960 | Cholecystokinin receptor type A | P30551 | Cckar | Rattus norvegicus (Rat) | 444 |
219962 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
219963 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
219981 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
219969 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
219970 | Gastrin/cholecystokinin type B receptor | P30553 | Cckbr | Rattus norvegicus (Rat) | 452 |
219966 | Histamine H1 receptor | P31390 | Hrh1 | Rattus norvegicus (Rat) | 486 |
219974 | Histamine H3 receptor | Q9QYN8 | Hrh3 | Rattus norvegicus (Rat) | 445 |
219979 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
219961 | Leukotriene B4 receptor 1 | Q9R0Q2 | Ltb4r | Rattus norvegicus (Rat) | 351 |
219971 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
219972 | Muscarinic acetylcholine receptor M1 | P08482 | Chrm1 | Rattus norvegicus (Rat) | 460 |
219978 | Muscarinic acetylcholine receptor M2 | P10980 | Chrm2 | Rattus norvegicus (Rat) | 466 |
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