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Ligand

NameCHEMBL3940252
Molecular formulaC23H19N5OS
IUPAC name[3-(2-ethenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone
Molecular weight413.499
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM251912
SCHEMBL14850716
US9475814, 10
Inchi KeyAPLXJTFZQWBTIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19N5OS/c1-2-21-24-19(15-30-21)22-26-25-20-14-27(12-13-28(20)22)23(29)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-11,15H,1,12-14H2
PubChem CID71549498
ChEMBLCHEMBL3940252
IUPHARN/A
BindingDB251912
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
536282Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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