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Ligand

NameCHEMBL1082623
Molecular formulaC20H16ClFN6O2S
IUPAC name4-chloro-N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
Molecular weight458.896
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50320163
SCHEMBL12863149
4-chloro-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
Inchi KeyBMXUFHORTLVLCV-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H16ClFN6O2S/c21-15-5-7-17(8-6-15)31(29,30)28(13-16-3-1-2-10-23-16)12-14-4-9-18(19(22)11-14)20-24-26-27-25-20/h1-11H,12-13H2,(H,24,25,26,27)
PubChem CID46891478
ChEMBLCHEMBL1082623
IUPHARN/A
BindingDB50320163
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
27864C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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