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Ligand

NameCHEMBL482369
Molecular formulaC20H29F3N4O2S
IUPAC name(1S,4R)-7,7-dimethyl-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-amine
Molecular weight446.533
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50412551
SCHEMBL5376286
Inchi KeyAAZFQYDIHLHKGW-WDOBJEIGSA-N
Inchi IDInChI=1S/C20H29F3N4O2S/c1-18(2)14-5-6-19(18,16(24)11-14)13-30(28,29)27-9-7-26(8-10-27)17-4-3-15(12-25-17)20(21,22)23/h3-4,12,14,16H,5-11,13,24H2,1-2H3/t14-,16?,19-/m1/s1
PubChem CID44570140
ChEMBLCHEMBL482369
IUPHARN/A
BindingDB50412551
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
650C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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