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Ligand

NameCHEMBL459951
Molecular formulaC21H30F3N3O3S
IUPAC name(1S,4R)-2,7,7-trimethyl-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-ol
Molecular weight461.544
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50412597
SCHEMBL14465677
Inchi KeyBJEXRFVKMXYHRG-XGNLNOIOSA-N
Inchi IDInChI=1S/C21H30F3N3O3S/c1-18(2)15-6-7-20(18,19(3,28)12-15)14-31(29,30)27-10-8-26(9-11-27)17-5-4-16(13-25-17)21(22,23)24/h4-5,13,15,28H,6-12,14H2,1-3H3/t15-,19?,20+/m1/s1
PubChem CID44569944
ChEMBLCHEMBL459951
IUPHARN/A
BindingDB50412597
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
25015C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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