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Ligand

NameCHEMBL564803
Molecular formulaC27H30N2O2S
IUPAC name2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonyl-1,3-dihydroisoindole
Molecular weight446.609
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.0
SynonymsSCHEMBL14303488
Inchi KeyBBDRSBPNMMZEST-OAQYLSRUSA-N
Inchi IDInChI=1S/C27H30N2O2S/c1-21-5-4-17-28(21)18-16-22-8-10-23(11-9-22)24-12-14-27(15-13-24)32(30,31)29-19-25-6-2-3-7-26(25)20-29/h2-3,6-15,21H,4-5,16-20H2,1H3/t21-/m1/s1
PubChem CID24885251
ChEMBLCHEMBL564803
IUPHARN/A
BindingDBN/A
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
19414Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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