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Ligand

NameMLS001223940
Molecular formulaC18H21FN2S
IUPAC name1-[1-(2,4-dimethylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea
Molecular weight316.438
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.2
SynonymsCHEMBL1383859
MolPort-008-307-760
HMS2974M06
STK493859
AKOS003345641
[ Show all ]
Inchi KeyARIGVURYRMAIFM-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21FN2S/c1-12-4-9-17(13(2)10-12)14(3)21-18(22)20-11-15-5-7-16(19)8-6-15/h4-10,14H,11H2,1-3H3,(H2,20,21,22)
PubChem CID17263474
ChEMBLCHEMBL1383859
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12501Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
12502Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
464374Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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