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Ligand

NameCHEMBL340531
Molecular formulaC24H31NO4S
IUPAC name(1S)-1-[(6-methoxyspiro[indene-1,4'-piperidine]-1'-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular weight429.575
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50001351
Inchi KeyBIFUGZDWTCNKGI-VCUSLETLSA-N
Inchi IDInChI=1S/C24H31NO4S/c1-22(2)18-7-9-24(22,21(26)14-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-4-5-19(29-3)15-20(17)23/h4-6,8,15,18H,7,9-14,16H2,1-3H3/t18?,24-/m1/s1
PubChem CID44351230
ChEMBLCHEMBL340531
IUPHARN/A
BindingDB50001351
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
24394Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388

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