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Ligand

NameCHEMBL3185809
Molecular formulaC26H34N2O5
IUPAC name3,4,5-trimethoxy-N-[9-[(4-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
Molecular weight454.567
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsMLS-0472145.0001
Inchi KeyDCBRWARWIDLMFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N2O5/c1-30-22-10-8-17(9-11-22)16-28-20-6-5-7-21(28)15-19(14-20)27-26(29)18-12-23(31-2)25(33-4)24(13-18)32-3/h8-13,19-21H,5-7,14-16H2,1-4H3,(H,27,29)
PubChem CID60202207
ChEMBLCHEMBL3185809
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
469871C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
469872C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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