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Ligand

NameCHEMBL339151
Molecular formulaC26H36N2O4S
IUPAC nameN-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]acetamide
Molecular weight472.644
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50043099
1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]acetamide
Inchi KeyCDXCUUGKLYZBPY-NYMACZPPSA-N
Inchi IDInChI=1S/C26H36N2O4S/c1-19(29)27-17-26(30)16-21-9-11-25(26,23(21,2)3)18-33(31,32)28-14-12-24(13-15-28)10-8-20-6-4-5-7-22(20)24/h4-8,10,21,30H,9,11-18H2,1-3H3,(H,27,29)/t21-,25+,26+/m1/s1
PubChem CID44352497
ChEMBLCHEMBL339151
IUPHARN/A
BindingDB50043099
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39653Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
39652Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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