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Ligand

NameCHEMBL372820
Molecular formulaC27H33N3O3
IUPAC name(1R)-2-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-1-[(2R)-1-[(3-nitrophenyl)methyl]pyrrolidin-2-yl]ethanol
Molecular weight447.579
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50175380
(R)-1-((R)-1-(3-nitrobenzyl)pyrrolidin-2-yl)-2-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)ethanol
Inchi KeyBUYMPOCSZLJXOY-CLJLJLNGSA-N
Inchi IDInChI=1S/C27H33N3O3/c1-27(2,17-20-12-13-22-8-3-4-9-23(22)15-20)28-18-26(31)25-11-6-14-29(25)19-21-7-5-10-24(16-21)30(32)33/h3-5,7-10,12-13,15-16,25-26,28,31H,6,11,14,17-19H2,1-2H3/t25-,26-/m1/s1
PubChem CID44405894
ChEMBLCHEMBL372820
IUPHARN/A
BindingDB50175380
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
33454Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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