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Ligand

NameCHEMBL252503
Molecular formulaC25H34F6N4O2
IUPAC name1-[3,5-bis(trifluoromethyl)phenyl]-3-[1-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]piperidin-4-yl]urea
Molecular weight536.563
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50227868
1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-((1-pivaloylpiperidin-4-yl)methyl)piperidin-4-yl)urea
Inchi KeyAIURXVGBLMZIOF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H34F6N4O2/c1-23(2,3)21(36)35-10-4-16(5-11-35)15-34-8-6-19(7-9-34)32-22(37)33-20-13-17(24(26,27)28)12-18(14-20)25(29,30)31/h12-14,16,19H,4-11,15H2,1-3H3,(H2,32,33,37)
PubChem CID44446423
ChEMBLCHEMBL252503
IUPHARN/A
BindingDB50227868
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6537C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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