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Ligand

NameSCHEMBL1279101
Molecular formulaC16H16FN5OS
IUPAC name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(2-fluorophenyl)thiourea
Molecular weight345.396
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.3
SynonymsCHEMBL3971272
BDBM211065
US9247759, 4-105
Inchi KeyBBWRBNNWSBANPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16FN5OS/c1-10-13(11(2)23-21-10)9-22-8-12(7-18-22)19-16(24)20-15-6-4-3-5-14(15)17/h3-8H,9H2,1-2H3,(H2,19,20,24)
PubChem CID57422317
ChEMBLCHEMBL3971272
IUPHARN/A
BindingDB211065
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
519784Taste receptor type 2 member 8Q9NYW2TAS2R8Homo sapiens (Human)309

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