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Ligand

NameCHEMBL3115377
Molecular formulaC21H24F3N3O2
IUPAC name2-(3-butoxyphenyl)-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
Molecular weight407.437
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50447488
Inchi KeyCUIIMTOHWFLGKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24F3N3O2/c1-2-3-11-29-17-6-4-5-15(12-17)13-19(28)27-10-9-25-20-16(14-27)7-8-18(26-20)21(22,23)24/h4-8,12H,2-3,9-11,13-14H2,1H3,(H,25,26)
PubChem CID76336001
ChEMBLCHEMBL3115377
IUPHARN/A
BindingDB50447488
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
50774Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
50775Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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