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Ligand

NameCHEMBL3115398
Molecular formulaC23H19F4N3O2
IUPAC name2-[3-(3-fluorophenoxy)phenyl]-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
Molecular weight445.418
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50447498
Inchi KeyCBXLSLAIFWDLME-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19F4N3O2/c24-17-4-2-6-19(13-17)32-18-5-1-3-15(11-18)12-21(31)30-10-9-28-22-16(14-30)7-8-20(29-22)23(25,26)27/h1-8,11,13H,9-10,12,14H2,(H,28,29)
PubChem CID76336004
ChEMBLCHEMBL3115398
IUPHARN/A
BindingDB50447498
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
38323Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
38324Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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