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Ligand

NameCHEMBL1083314
Molecular formulaC25H30N2O4
IUPAC name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-nitrophenyl)ethoxy]propan-2-ol
Molecular weight422.525
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50320016
(2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)-3-(1-(2-nitrophenyl)ethoxy)propan-2-ol
Inchi KeyDMJJVTGNRMLQDP-LMNIDFBRSA-N
Inchi IDInChI=1S/C25H30N2O4/c1-18(23-10-6-7-11-24(23)27(29)30)31-17-22(28)16-26-25(2,3)15-19-12-13-20-8-4-5-9-21(20)14-19/h4-14,18,22,26,28H,15-17H2,1-3H3/t18?,22-/m1/s1
PubChem CID46891591
ChEMBLCHEMBL1083314
IUPHARN/A
BindingDB50320016
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
63733Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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