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Ligand

NameCHEMBL221789
Molecular formulaC25H28N2O5S
IUPAC nameethyl 4-[(4-phenylmethoxynaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate
Molecular weight468.568
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50203928
ethyl 4-(1-(benzyloxy)naphthalene-4-sulfonamido)piperidine-1-carboxylate
Inchi KeyLWQBKOSBMCBUHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N2O5S/c1-2-31-25(28)27-16-14-20(15-17-27)26-33(29,30)24-13-12-23(21-10-6-7-11-22(21)24)32-18-19-8-4-3-5-9-19/h3-13,20,26H,2,14-18H2,1H3
PubChem CID16105840
ChEMBLCHEMBL221789
IUPHARN/A
BindingDB50203928
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
198272C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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