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Ligand

NameCHEMBL199495
Molecular formulaC27H33FN2O2
IUPAC name2-fluoro-6-[[(2R)-2-[(1R)-1-hydroxy-2-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]ethyl]pyrrolidin-1-yl]methyl]phenol
Molecular weight436.571
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.8
SynonymsBDBM50175365
2-fluoro-6-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)ethyl)pyrrolidin-1-yl)methyl)phenol
Inchi KeyJKMQBGLZDUBJJR-JWQCQUIFSA-N
Inchi IDInChI=1S/C27H33FN2O2/c1-27(2,16-19-12-13-20-7-3-4-8-21(20)15-19)29-17-25(31)24-11-6-14-30(24)18-22-9-5-10-23(28)26(22)32/h3-5,7-10,12-13,15,24-25,29,31-32H,6,11,14,16-18H2,1-2H3/t24-,25-/m1/s1
PubChem CID10094574
ChEMBLCHEMBL199495
IUPHARN/A
BindingDB50175365
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
153144Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079
153145Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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