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Ligand

NameMLS000566658
Molecular formulaC20H21BrN4O2S
IUPAC name1-(4-bromophenyl)-4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one
Molecular weight461.378
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
Synonyms1-(4-bromophenyl)-4-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butan-1-one
BDBM97072
SMR000153579
1-(4-bromophenyl)-4-{[4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-1-one
cid_2464572
[ Show all ]
Inchi KeyATZWZUMLSKQWHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21BrN4O2S/c1-27-13-12-25-19(16-8-10-22-11-9-16)23-24-20(25)28-14-2-3-18(26)15-4-6-17(21)7-5-15/h4-11H,2-3,12-14H2,1H3
PubChem CID2464572
ChEMBLCHEMBL1321513
IUPHARN/A
BindingDB97072
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14458Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
464643Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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