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Ligand

NameSCHEMBL1279597
Molecular formulaC17H16N6OS
IUPAC name1-(2-cyanophenyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]thiourea
Molecular weight352.416
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.5
SynonymsUS9247759, 4-111
CHEMBL3961023
BDBM211071
Inchi KeyHYGRTCVZTMSLLD-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H16N6OS/c1-11-15(12(2)24-22-11)10-23-9-14(8-19-23)20-17(25)21-16-6-4-3-5-13(16)7-18/h3-6,8-9H,10H2,1-2H3,(H2,20,21,25)
PubChem CID57422323
ChEMBLCHEMBL3961023
IUPHARN/A
BindingDB211071
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
520239Taste receptor type 2 member 8Q9NYW2TAS2R8Homo sapiens (Human)309

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