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Ligand

NameRS-102221
Molecular formulaC27H31F3N4O7S
IUPAC nameN-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
Molecular weight612.621
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM85098
GTPL187
NCGC00024967-01
RS102221 HCl
185376-97-0
[ Show all ]
Inchi KeyHZZZZODVDSHQRG-UHFFFAOYSA-N
Inchi IDInChI=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 CID3693566
ChEMBLCHEMBL88402
IUPHAR187
BindingDB85098
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 17
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1282025-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1281935-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5539295-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
1281965-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1281915-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1281995-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
1282005-hydroxytryptamine receptor 2CP34968Htr2cMus musculus (Mouse)459
5559915-hydroxytryptamine receptor 7P50407HTR7Cavia porcellus (Guinea pig)446
128194Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
128192Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
460404Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
128198Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
128203Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
128197Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
128204Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
128201Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
460403Substance-P receptorP25103TACR1Homo sapiens (Human)407

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