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Ligand

NameMLS002159398
Molecular formulaC21H24FN3O5S
IUPAC nameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
Molecular weight449.497
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.2
SynonymsCHEMBL1354843
ZINC8897650
AKOS034137609
SMR001241856
HMS3067B09
[ Show all ]
Inchi KeyAFGBCNSSACMUGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24FN3O5S/c22-16-2-4-17(5-3-16)24-8-10-25(11-9-24)21(26)15-23-31(27,28)18-6-7-19-20(14-18)30-13-1-12-29-19/h2-7,14,23H,1,8-13,15H2
PubChem CID16319142
ChEMBLCHEMBL1354843
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
463386Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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