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Ligand

NameSCHEMBL3309198
Molecular formulaC17H23NO4S
IUPAC name4-[(3-methyl-2-propan-2-yloxybenzoyl)amino]thiane-4-carboxylic acid
Molecular weight337.434
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
Synonyms4-(2-Isopropoxy-3-methyl-benzoylamino)-tetrahydro-thiopyran-4-carboxylic acid
WJRJYMFQPCHTNH-UHFFFAOYSA-N
CHEMBL3717131
Inchi KeyWJRJYMFQPCHTNH-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H23NO4S/c1-11(2)22-14-12(3)5-4-6-13(14)15(19)18-17(16(20)21)7-9-23-10-8-17/h4-6,11H,7-10H2,1-3H3,(H,18,19)(H,20,21)
PubChem CID59314148
ChEMBLCHEMBL3717131
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
532093C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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