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Ligand

NameSCHEMBL509214
Molecular formulaC23H21F3N2O2
IUPAC name2-[3,5-dimethyl-1-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]pyrazol-4-yl]acetic acid
Molecular weight414.428
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.2
SynonymsCHEMBL3686026
(3,5-Dimethyl-1-{4-[(E)-2-(4-trifluoromethyl-phenyl)-vinyl]-benzyl}-1H-pyrazol-4-yl)-acetic acid
BDBM127268
US8791272, 12.2
ABLSCNVAYZOKFJ-ONEGZZNKSA-N
Inchi KeyABLSCNVAYZOKFJ-ONEGZZNKSA-N
Inchi IDInChI=1S/C23H21F3N2O2/c1-15-21(13-22(29)30)16(2)28(27-15)14-19-7-5-17(6-8-19)3-4-18-9-11-20(12-10-18)23(24,25)26/h3-12H,13-14H2,1-2H3,(H,29,30)/b4-3+
PubChem CID58071668
ChEMBLCHEMBL3686026
IUPHARN/A
BindingDB127268
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
946Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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