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Ligand

NameMLS000716936
Molecular formulaC16H14F3N3O5S
IUPAC name2-[3-(2,4-dimethoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
Molecular weight417.359
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP3.1
Synonyms2-[3-(2,4-dimethoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMR000278453
HMS2650I03
2-[3-(2,4-dimethoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]thiazole-4-carboxylic acid
ASN 13121597
[ Show all ]
Inchi KeyAADHNFIRCRYOGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H14F3N3O5S/c1-26-8-3-4-9(12(5-8)27-2)10-6-15(25,16(17,18)19)22(21-10)14-20-11(7-28-14)13(23)24/h3-5,7,25H,6H2,1-2H3,(H,23,24)
PubChem CID4157793
ChEMBLCHEMBL1543980
IUPHARN/A
BindingDB97103
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
106Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
462983Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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