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Ligand

NameCHEMBL560868
Molecular formulaC21H20N4O3S
IUPAC name4-acetyl-N-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
Molecular weight408.476
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50414545
Inchi KeyBUAATPMOGDLUBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20N4O3S/c1-12-5-4-6-13(2)18(12)20-23-24-21(29-20)22-19(27)15-7-8-17-16(11-15)25(14(3)26)9-10-28-17/h4-8,11H,9-10H2,1-3H3,(H,22,24,27)
PubChem CID45267514
ChEMBLCHEMBL560868
IUPHARN/A
BindingDB50414545
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
32844Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390

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