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Ligand

NameCHEMBL3115389
Molecular formulaC23H26F3N3O4
IUPAC name2-[(5R)-4-[2-[3-(2-methylpropoxy)phenyl]acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Molecular weight465.473
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50447476
Inchi KeyLOGYNHUXJMCIQV-GOSISDBHSA-N
Inchi IDInChI=1S/C23H26F3N3O4/c1-14(2)13-33-16-5-3-4-15(10-16)11-20(30)29-9-8-27-22-17(18(29)12-21(31)32)6-7-19(28-22)23(24,25)26/h3-7,10,14,18H,8-9,11-13H2,1-2H3,(H,27,28)(H,31,32)/t18-/m1/s1
PubChem CID76325134
ChEMBLCHEMBL3115389
IUPHARN/A
BindingDB50447476
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
192342Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399
192343Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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