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Ligand

NameCHEMBL2153436
Molecular formulaC27H23F2N3O3
IUPAC namemethyl 2-fluoro-6-[3-fluoro-4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzoate
Molecular weight475.496
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50393162
Inchi KeyPJKNCFGLXAEWPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H23F2N3O3/c1-35-27(34)25-21(7-3-8-22(25)28)18-10-11-19(23(29)15-18)16-31-24(33)9-2-6-20-13-12-17-5-4-14-30-26(17)32-20/h3-5,7-8,10-15H,2,6,9,16H2,1H3,(H,31,33)
PubChem CID71449505
ChEMBLCHEMBL2153436
IUPHARN/A
BindingDB50393162
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
261234B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
261233Succinate receptor 1Q9BXA5SUCNR1Homo sapiens (Human)334

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