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Ligand

NameCHEMBL3979822
Molecular formulaC22H28BrN3O2S
IUPAC nameN-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
Molecular weight478.449
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50194911
Inchi KeyAAPDZZXIMBLULR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28BrN3O2S/c23-19-14-16(3-4-20(19)28-18-5-9-24-10-6-18)15-26-11-7-17(8-12-26)25-22(27)21-2-1-13-29-21/h1-4,13-14,17-18,24H,5-12,15H2,(H,25,27)
PubChem CID134152840
ChEMBLCHEMBL3979822
IUPHARN/A
BindingDB50194911
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
547902Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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