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Ligand

NameCHEMBL129498
Molecular formulaC23H28FNO3S
IUPAC name(1S)-1-[(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular weight417.539
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50001423
Inchi KeyBNMJXVWOIBLBIM-IRCUZVAFSA-N
Inchi IDInChI=1S/C23H28FNO3S/c1-21(2)17-6-8-23(21,20(26)13-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-3-4-18(24)14-19(16)22/h3-5,7,14,17H,6,8-13,15H2,1-2H3/t17?,23-/m1/s1
PubChem CID44351231
ChEMBLCHEMBL129498
IUPHARN/A
BindingDB50001423
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28254Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388

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