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Ligand

NameCHEMBL1379097
Molecular formulaC22H20N4O3S2
IUPAC name2-(3,4-dimethylphenoxy)-N-[5-[(4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
Molecular weight452.547
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.3
SynonymsHMS1896G15
2-(3,4-dimethylphenoxy)-N-(5-{[(4-oxo-1,4-dihydroquinolin-2-yl)methyl]thio}-1,3,4-thiadiazol-2-yl)acetamide
NCGC00133856-01
MCULE-4087385612
AKOS002063711
[ Show all ]
Inchi KeyAFMYYVBJPHRSBZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20N4O3S2/c1-13-7-8-16(9-14(13)2)29-11-20(28)24-21-25-26-22(31-21)30-12-15-10-19(27)17-5-3-4-6-18(17)23-15/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,25,28)
PubChem CID16030490
ChEMBLCHEMBL1379097
IUPHARN/A
BindingDBN/A
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
463413Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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