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Ligand

NameCHEMBL2348520
Molecular formulaC22H27F3N2O4
IUPAC name3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
Molecular weight440.463
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50431983
Inchi KeyDTWIWPLNCJRJGN-INIZCTEOSA-N
Inchi IDInChI=1S/C22H27F3N2O4/c1-27-8-7-16(13-27)31-19-10-15(5-6-17(19)22(23,24)25)26-12-14-9-20(29-3)21(30-4)11-18(14)28-2/h5-6,9-11,16,26H,7-8,12-13H2,1-4H3/t16-/m0/s1
PubChem CID71718978
ChEMBLCHEMBL2348520
IUPHARN/A
BindingDB50431983
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
68752Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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