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Ligand

NameCHEMBL3964222
Molecular formulaC21H17N5OS2
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-thiophen-2-ylphenyl)methanone
Molecular weight419.521
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM251911
SCHEMBL14850717
US9475814, 9
Inchi KeyBGMHMCCXCXGAEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17N5OS2/c1-2-19-22-16(13-29-19)20-24-23-18-12-25(9-10-26(18)20)21(27)15-7-5-14(6-8-15)17-4-3-11-28-17/h2-8,11,13H,1,9-10,12H2
PubChem CID71549363
ChEMBLCHEMBL3964222
IUPHARN/A
BindingDB251911
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536568Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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