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Ligand

NameCHEMBL3187346
Molecular formulaC27H35N3O5
IUPAC name3,4,5-trimethoxy-N-[9-[2-(4-methylanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
Molecular weight481.593
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsMLS-0472136.0001
Inchi KeyBZSNUGWDIOXXKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H35N3O5/c1-17-8-10-19(11-9-17)28-25(31)16-30-21-6-5-7-22(30)15-20(14-21)29-27(32)18-12-23(33-2)26(35-4)24(13-18)34-3/h8-13,20-22H,5-7,14-16H2,1-4H3,(H,28,31)(H,29,32)
PubChem CID60202246
ChEMBLCHEMBL3187346
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
467451C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
467452C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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