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Ligand

NameCHEMBL3188149
Molecular formulaC27H35N3O6
IUPAC name3,4,5-trimethoxy-N-[9-[2-(2-methoxyanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
Molecular weight497.592
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.6
SynonymsMLS-0472138.0001
Inchi KeyCTHJPSUBSCTMHA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H35N3O6/c1-33-22-11-6-5-10-21(22)29-25(31)16-30-19-8-7-9-20(30)15-18(14-19)28-27(32)17-12-23(34-2)26(36-4)24(13-17)35-3/h5-6,10-13,18-20H,7-9,14-16H2,1-4H3,(H,28,32)(H,29,31)
PubChem CID60202261
ChEMBLCHEMBL3188149
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
469073C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
469074C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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