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Ligand

NameMLS000122826
Molecular formulaC23H27N5O3S2
IUPAC name2-[[4-(2,4-dimethylphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Molecular weight485.621
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.3
SynonymsSMR000123471
2-[[4-(2,4-dimethylphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
2-{4-(2,4-Dimethyl-phenyl)-5-[4-(piperidine-1-sulfonyl)-phenyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
ASN 04654721
AC1LS11I
[ Show all ]
Inchi KeyCGIRIMAQFCOUKP-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O3S2/c1-16-6-11-20(17(2)14-16)28-22(25-26-23(28)32-15-21(24)29)18-7-9-19(10-8-18)33(30,31)27-12-4-3-5-13-27/h6-11,14H,3-5,12-13,15H2,1-2H3,(H2,24,29)
PubChem CID1431538
ChEMBLCHEMBL1382150
IUPHARN/A
BindingDB62077
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41359Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
41360Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328
467984Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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