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Ligand

NameCHEMBL3115381
Molecular formulaC23H26F3N3O2
IUPAC name2-(3-cyclohexyloxyphenyl)-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
Molecular weight433.475
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50447484
Inchi KeyLMLKGHIEKWIAHV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26F3N3O2/c24-23(25,26)20-10-9-17-15-29(12-11-27-22(17)28-20)21(30)14-16-5-4-8-19(13-16)31-18-6-2-1-3-7-18/h4-5,8-10,13,18H,1-3,6-7,11-12,14-15H2,(H,27,28)
PubChem CID76314245
ChEMBLCHEMBL3115381
IUPHARN/A
BindingDB50447484
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
191054Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
191055Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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