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Ligand

NameBDBM228192
Molecular formulaC23H26F3N7O2S
IUPAC name1-[2-[3-(2-cyclopropylpyrimidin-5-yl)-5-(trifluoromethyl)thiophen-2-yl]-6-methylpiperazin-1-yl]-2-[3-(methoxymethyl)-1,2,4-triazol-1-yl]ethanone
Molecular weight521.563
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP1.7
Synonyms1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifluoromethyl-thiazol-5-yl]-2-methyl-piperazin-1-yl}-2-(3-methoxymethyl-[1,2,4]triazol-1-yl)-ethanone
US10047080, 18
Inchi KeyASICIYZNDVQTCS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26F3N7O2S/c1-13-6-27-9-17(33(13)20(34)10-32-12-30-19(31-32)11-35-2)21-16(5-18(36-21)23(24,25)26)15-7-28-22(29-8-15)14-3-4-14/h5,7-8,12-14,17,27H,3-4,6,9-11H2,1-2H3
PubChem CID134819795
ChEMBLN/A
IUPHARN/A
BindingDB228192
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557652C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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