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Name | Mesulergine |
---|---|
Molecular formula | C18H26N4O2S |
IUPAC name | (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline |
Molecular weight | 362.492 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 1.4 |
Synonyms | 9-N,N-dimethylsulfamide-4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline C18H26N4O2S CU-32085 LS-147708 N'-(1,6-Dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide [ Show all ] |
Inchi Key | JLVHTNZNKOSCNB-YSVLISHTSA-N |
Inchi ID | InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1 |
PubChem CID | 68848 |
ChEMBL | CHEMBL12314 |
IUPHAR | 206 |
BindingDB | 50024204 |
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 |
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154025 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
154043 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
154026 | 5-hydroxytryptamine receptor 1B | P28564 | Htr1b | Rattus norvegicus (Rat) | 386 |
154038 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
154042 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
154040 | 5-hydroxytryptamine receptor 1F | P30939 | HTR1F | Homo sapiens (Human) | 366 |
154030 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
154035 | 5-hydroxytryptamine receptor 2A | P50128 | HTR2A | Macaca mulatta (Rhesus macaque) | 471 |
154039 | 5-hydroxytryptamine receptor 2A | P50129 | HTR2A | Sus scrofa (Pig) | 470 |
554036 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
154022 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
154032 | 5-hydroxytryptamine receptor 2B | P30994 | Htr2b | Rattus norvegicus (Rat) | 479 |
154023 | 5-hydroxytryptamine receptor 2C | P08909 | Htr2c | Rattus norvegicus (Rat) | 460 |
154028 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
154027 | 5-hydroxytryptamine receptor 5A | P35364 | Htr5a | Rattus norvegicus (Rat) | 357 |
154041 | 5-hydroxytryptamine receptor 5B | P35365 | Htr5b | Rattus norvegicus (Rat) | 370 |
154024 | 5-hydroxytryptamine receptor 6 | P31388 | Htr6 | Rattus norvegicus (Rat) | 436 |
154029 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
154036 | 5-hydroxytryptamine receptor 6 | Q9R1C8 | Htr6 | Mus musculus (Mouse) | 440 |
154031 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
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