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Ligand

NameCHEMBL1808995
Molecular formulaC24H24N4O2
IUPAC name(6aR,9R)-9-N-ethyl-7-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7,9-dicarboxamide
Molecular weight400.482
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP2.5
SynonymsBDBM50349637
Inchi KeyNWYXNUNTGUOICU-IIBYNOLFSA-N
Inchi IDInChI=1S/C24H24N4O2/c1-2-25-23(29)16-11-19-18-9-6-10-20-22(18)15(13-26-20)12-21(19)28(14-16)24(30)27-17-7-4-3-5-8-17/h3-11,13,16,21,26H,2,12,14H2,1H3,(H,25,29)(H,27,30)/t16-,21-/m1/s1
PubChem CID56680588
ChEMBLCHEMBL1808995
IUPHARN/A
BindingDB50349637
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
234120C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
234121C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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