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Ligand

NameCHEMBL47372
Molecular formulaC25H23FN2O4S
IUPAC name3-[3-[(4-fluorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]indol-1-yl]propanoic acid
Molecular weight466.527
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50403569
SCHEMBL8541183
Inchi KeyHOLZDDPAUNSDQY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23FN2O4S/c1-17-2-9-22(10-3-17)33(31,32)27-21-8-11-24-23(15-21)19(16-28(24)13-12-25(29)30)14-18-4-6-20(26)7-5-18/h2-11,15-16,27H,12-14H2,1H3,(H,29,30)
PubChem CID18926517
ChEMBLCHEMBL47372
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
120111Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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