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Ligand

NameCHEMBL200312
Molecular formulaC26H31N3OS
IUPAC name3-[[(2R)-2-[(1R)-2-[[1-(1-benzothiophen-2-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]pyrrolidin-1-yl]methyl]benzonitrile
Molecular weight433.614
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50175363
1-arylmethylpyrrolidin-2-yl ethanol amine
compound 26a [PMID: 16216508]
3-(((R)-2-((R)-2-(1-(benzo[b]thiophen-2-yl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)pyrrolidin-1-yl)methyl)benzonitrile
D0I1GV
[ Show all ]
Inchi KeyHCLQARMRCPEALF-DNQXCXABSA-N
Inchi IDInChI=1S/C26H31N3OS/c1-26(2,15-22-14-21-9-3-4-11-25(21)31-22)28-17-24(30)23-10-6-12-29(23)18-20-8-5-7-19(13-20)16-27/h3-5,7-9,11,13-14,23-24,28,30H,6,10,12,15,17-18H2,1-2H3/t23-,24-/m1/s1
PubChem CID44405854
ChEMBLCHEMBL200312
IUPHAR711
BindingDB50175363
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
111422Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078
553806Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079

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