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Ligand

NameSMR000120908
Molecular formulaC14H8ClNO3
IUPAC name(5-chloroquinolin-8-yl) furan-2-carboxylate
Molecular weight273.672
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.6
Synonyms5-chloroquinolin-8-yl furan-2-carboxylate
furan-2-carboxylic acid (5-chloro-8-quinolyl) ester
MolPort-000-423-080
2-furancarboxylic acid (5-chloro-8-quinolinyl) ester
BAS 05597635
[ Show all ]
Inchi KeyANWBJZCIAVOROI-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H8ClNO3/c15-10-5-6-11(13-9(10)3-1-7-16-13)19-14(17)12-4-2-8-18-12/h1-8H
PubChem CID699693
ChEMBLCHEMBL1428258
IUPHARN/A
BindingDB33451
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: 4
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GLASS IDNameUniProtGeneSpeciesLength
9943Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
9944C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
9941Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
9942Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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