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Ligand

NameSCHEMBL344537
Molecular formulaC25H25ClN2O5S
IUPAC nameN-[4-chloro-2-(6-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]-4-(4-methyloxan-4-yl)benzenesulfonamide
Molecular weight500.994
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsCHEMBL3717549
Inchi KeyITIVVPSRJXMQDB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25ClN2O5S/c1-17-3-4-18(16-28(17)30)24(29)22-15-20(26)7-10-23(22)27-34(31,32)21-8-5-19(6-9-21)25(2)11-13-33-14-12-25/h3-10,15-16,27H,11-14H2,1-2H3
PubChem CID59788599
ChEMBLCHEMBL3717549
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
525613C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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