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Ligand

NameCHEMBL3719349
Molecular formulaC27H19N5O4S
IUPAC name2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carbonitrile
Molecular weight509.54
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM286430
SCHEMBL16675825
US9518064, Example 46
Inchi KeyAFMMZHFDBNHHLC-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H19N5O4S/c1-33-19-10-22(35-15-16-5-3-6-17(9-16)25-18(13-28)7-4-8-29-25)20-12-24(36-23(20)11-19)21-14-32-26(30-21)37-27(31-32)34-2/h3-12,14H,15H2,1-2H3
PubChem CID118042469
ChEMBLCHEMBL3719349
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
521567Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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