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Name | RS-102221 |
---|---|
Molecular formula | C27H31F3N4O7S |
IUPAC name | N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide |
Molecular weight | 612.621 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 3 |
XlogP | 2.7 |
Synonyms | BDBM85098 GTPL187 NCGC00024967-01 RS102221 HCl ZINC26580328 [ Show all ] |
Inchi Key | HZZZZODVDSHQRG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37) |
PubChem CID | 3693566 |
ChEMBL | CHEMBL88402 |
IUPHAR | 187 |
BindingDB | 85098 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
128202 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
128193 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
553929 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
128196 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
128191 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
128199 | 5-hydroxytryptamine receptor 2C | P08909 | Htr2c | Rattus norvegicus (Rat) | 460 |
128200 | 5-hydroxytryptamine receptor 2C | P34968 | Htr2c | Mus musculus (Mouse) | 459 |
555991 | 5-hydroxytryptamine receptor 7 | P50407 | HTR7 | Cavia porcellus (Guinea pig) | 446 |
128194 | Alpha-1B adrenergic receptor | P15823 | Adra1b | Rattus norvegicus (Rat) | 515 |
128192 | Alpha-2B adrenergic receptor | P19328 | Adra2b | Rattus norvegicus (Rat) | 453 |
460404 | Beta-2 adrenergic receptor | P10608 | Adrb2 | Rattus norvegicus (Rat) | 418 |
128198 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
128203 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
128197 | Muscarinic acetylcholine receptor M1 | P08482 | Chrm1 | Rattus norvegicus (Rat) | 460 |
128204 | Muscarinic acetylcholine receptor M2 | P10980 | Chrm2 | Rattus norvegicus (Rat) | 466 |
128201 | Muscarinic acetylcholine receptor M3 | P08483 | Chrm3 | Rattus norvegicus (Rat) | 589 |
460403 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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