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Ligand

NameCHEMBL3797624
Molecular formulaC24H22ClN3O5S
IUPAC name4-tert-butyl-N-[7-chloro-2-[(1-oxidopyridin-1-ium-4-yl)methyl]-1,3-dioxoisoindol-4-yl]benzenesulfonamide
Molecular weight499.966
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsSCHEMBL18353805
Inchi KeyDVUIEDLIWUSBFJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22ClN3O5S/c1-24(2,3)16-4-6-17(7-5-16)34(32,33)26-19-9-8-18(25)20-21(19)23(30)28(22(20)29)14-15-10-12-27(31)13-11-15/h4-13,26H,14H2,1-3H3
PubChem CID123327510
ChEMBLCHEMBL3797624
IUPHARN/A
BindingDBN/A
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523594C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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