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Ligand

NameCHEMBL170844
Molecular formulaC18H23BrN6O2S
IUPAC name3-(2-bromo-4-methylsulfonylphenyl)-N-butyl-N-ethyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine
Molecular weight467.386
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50074489
[3-(2-Bromo-4-methanesulfonyl-phenyl)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-butyl-ethyl-amine
Inchi KeyANMQIRODAINRSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H23BrN6O2S/c1-5-7-10-24(6-2)17-16-18(21-12(3)20-17)25(23-22-16)15-9-8-13(11-14(15)19)28(4,26)27/h8-9,11H,5-7,10H2,1-4H3
PubChem CID10671924
ChEMBLCHEMBL170844
IUPHARN/A
BindingDB50074489
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
9690Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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