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Ligand

NameCHEMBL3718112
Molecular formulaC23H23ClN2O4S
IUPAC name4-tert-butyl-N-[4-chloro-3-methoxy-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
Molecular weight458.957
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.5
SynonymsSCHEMBL10249482
Inchi KeyALDQWYQFYBPDLD-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23ClN2O4S/c1-23(2,3)16-5-7-17(8-6-16)31(28,29)26-19-10-9-18(24)22(30-4)20(19)21(27)15-11-13-25-14-12-15/h5-14,26H,1-4H3
PubChem CID20827705
ChEMBLCHEMBL3718112
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
521672C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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