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Ligand

NameCHEMBL1085734
Molecular formulaC16H18Cl2N4O3S
IUPAC name1-(1-cyclopropylethyl)-5-(2,6-dichloro-4-methylsulfonylanilino)-3-methyl-1,2,4-triazin-6-one
Molecular weight417.305
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50320239
1-(1-cyclopropylethyl)-5-(2,6-dichloro-4-(methylsulfonyl)phenylamino)-3-methyl-1,2,4-triazin-6(1H)-one
Inchi KeyCDWKGHYIXLZPJA-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18Cl2N4O3S/c1-8(10-4-5-10)22-16(23)15(19-9(2)21-22)20-14-12(17)6-11(7-13(14)18)26(3,24)25/h6-8,10H,4-5H2,1-3H3,(H,19,20,21)
PubChem CID46891092
ChEMBLCHEMBL1085734
IUPHARN/A
BindingDB50320239
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
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GLASS IDNameUniProtGeneSpeciesLength
39643Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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