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Name | methiothepin |
---|---|
Molecular formula | C20H24N2S2 |
IUPAC name | 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine |
Molecular weight | 356.546 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.2 |
Synonyms | Metitepine NCGC00024665-05 Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-, (2Z)-2-butenedioate (1:1) 1-methyl-4-(8-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine SCHEMBL113526 [ Show all ] |
Inchi Key | RLJFTICUTYVZDG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 |
PubChem CID | 4106 |
ChEMBL | CHEMBL93240 |
IUPHAR | 89 |
BindingDB | 78940 |
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 |
---|---|---|---|---|---|
299024 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
299030 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
299020 | 5-hydroxytryptamine receptor 1B | P28564 | Htr1b | Rattus norvegicus (Rat) | 386 |
299023 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
299046 | 5-hydroxytryptamine receptor 1B | O08892 | HTR1B | Cavia porcellus (Guinea pig) | 389 |
299015 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
299044 | 5-hydroxytryptamine receptor 1D | P79400 | HTR1D | Sus scrofa (Pig) | 291 |
299047 | 5-hydroxytryptamine receptor 1D | P28565 | Htr1d | Rattus norvegicus (Rat) | 374 |
299027 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
299034 | 5-hydroxytryptamine receptor 1F | P30939 | HTR1F | Homo sapiens (Human) | 366 |
299045 | 5-hydroxytryptamine receptor 1F | P30940 | Htr1f | Rattus norvegicus (Rat) | 366 |
299022 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
299025 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
299019 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
299035 | 5-hydroxytryptamine receptor 2C | P08909 | Htr2c | Rattus norvegicus (Rat) | 460 |
299037 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
299026 | 5-hydroxytryptamine receptor 5A | P35364 | Htr5a | Rattus norvegicus (Rat) | 357 |
299038 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
299041 | 5-hydroxytryptamine receptor 5A | P30966 | Htr5a | Mus musculus (Mouse) | 357 |
299028 | 5-hydroxytryptamine receptor 5B | P35365 | Htr5b | Rattus norvegicus (Rat) | 370 |
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