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Ligand

NameCHEMBL1777869
Molecular formulaC21H17NO3
IUPAC name3-(4-isoquinolin-1-yloxyphenyl)hex-4-ynoic acid
Molecular weight331.371
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50344076
rac-3-(4-(isoquinolin-1-yloxy)phenyl)hex-4-ynoic acid
Inchi KeyHKFFRSRBKJXQHI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17NO3/c1-2-5-17(14-20(23)24)15-8-10-18(11-9-15)25-21-19-7-4-3-6-16(19)12-13-22-21/h3-4,6-13,17H,14H2,1H3,(H,23,24)
PubChem CID54581633
ChEMBLCHEMBL1777869
IUPHARN/A
BindingDB50344076
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
117137Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
117138Free fatty acid receptor 1Q76JU9Ffar1Mus musculus (Mouse)300

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