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Ligand

NameCHEMBL3115400
Molecular formulaC24H22F3N3O2
IUPAC name2-[3-(4-methylphenoxy)phenyl]-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
Molecular weight441.454
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50447496
Inchi KeyAXLIVNSQLQAVDZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22F3N3O2/c1-16-5-8-19(9-6-16)32-20-4-2-3-17(13-20)14-22(31)30-12-11-28-23-18(15-30)7-10-21(29-23)24(25,26)27/h2-10,13H,11-12,14-15H2,1H3,(H,28,29)
PubChem CID76314247
ChEMBLCHEMBL3115400
IUPHARN/A
BindingDB50447496
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
16825Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399
16826Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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