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Ligand

NameCHEMBL3358676
Molecular formulaC22H25BrN4O2S
IUPAC name1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(3-bromothieno[3,2-b]pyridin-7-yl)urea
Molecular weight489.432
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM50036157
Inchi KeyFAIMTXULCHXHME-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25BrN4O2S/c23-17-15-30-20-18(6-9-24-19(17)20)26-21(28)25-10-13-27-11-7-22(29,8-12-27)14-16-4-2-1-3-5-16/h1-6,9,15,29H,7-8,10-14H2,(H2,24,25,26,28)
PubChem CID86291694
ChEMBLCHEMBL3358676
IUPHARN/A
BindingDB50036157
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
444613Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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