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Ligand

NameCHEMBL295512
Molecular formulaC21H19FN4O4S
IUPAC name3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid
Molecular weight442.465
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.7
SynonymsSCHEMBL8539522
3-[5-(4-Fluoro-benzenesulfonylamino)-3-imidazol-1-ylmethyl-indol-1-yl]-propionic acid
BDBM50060378
Inchi KeyLETDBYAQRZLVRD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19FN4O4S/c22-16-1-4-18(5-2-16)31(29,30)24-17-3-6-20-19(11-17)15(12-25-10-8-23-14-25)13-26(20)9-7-21(27)28/h1-6,8,10-11,13-14,24H,7,9,12H2,(H,27,28)
PubChem CID18926535
ChEMBLCHEMBL295512
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
185582Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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