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Ligand

NameCHEMBL488337
Molecular formulaC20H27NO3
IUPAC name1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
Molecular weight329.44
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.4
SynonymsSCHEMBL14382943
BDBM50268101
(+/-)-1-((1,1-Dimethyl-2-[4-(methyloxy)phenyl]ethyl)amino)-3-(phenyloxy)-2-propanol
Inchi KeyCVLQHWXSSKFZAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27NO3/c1-20(2,13-16-9-11-18(23-3)12-10-16)21-14-17(22)15-24-19-7-5-4-6-8-19/h4-12,17,21-22H,13-15H2,1-3H3
PubChem CID15461660
ChEMBLCHEMBL488337
IUPHARN/A
BindingDB50268101
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
51591Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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