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Ligand

NameCHEMBL420144
Molecular formulaC23H29NO3S
IUPAC name(1S,4R)-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
Molecular weight399.549
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50043135
7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one
1-[[[(1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methyl]sulfonyl]spiro[piperidine-4,1'-[1H]indene]
Inchi KeyAAIYKQCKJSUOEL-WZONZLPQSA-N
Inchi IDInChI=1S/C23H29NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18H,8,10-16H2,1-2H3/t18-,23-/m1/s1
PubChem CID10069537
ChEMBLCHEMBL420144
IUPHARN/A
BindingDB50043135
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
246Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
245Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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