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Ligand

NameCHEMBL1934527
Molecular formulaC25H33NO3S
IUPAC name(2R)-2-methyl-1-[2-[4-[4-(oxan-2-ylmethylsulfonyl)phenyl]phenyl]ethyl]pyrrolidine
Molecular weight427.603
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50361237
SCHEMBL1939583
Inchi KeyAHDCQPKUMADGLJ-CGHJUBPDSA-N
Inchi IDInChI=1S/C25H33NO3S/c1-20-5-4-16-26(20)17-15-21-7-9-22(10-8-21)23-11-13-25(14-12-23)30(27,28)19-24-6-2-3-18-29-24/h7-14,20,24H,2-6,15-19H2,1H3/t20-,24?/m1/s1
PubChem CID24897683
ChEMBLCHEMBL1934527
IUPHARN/A
BindingDB50361237
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
5445Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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