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Ligand

NameCHEMBL1809025
Molecular formulaC24H24N4O2S
IUPAC name(6aR,9R)-9-(pyrrolidine-1-carbonyl)-N-thiophen-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight432.542
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50349661
Inchi KeyOOAFUDLLZVCZTG-OXQOHEQNSA-N
Inchi IDInChI=1S/C24H24N4O2S/c29-23(27-8-1-2-9-27)16-11-18-17-5-3-6-19-22(17)15(13-25-19)12-20(18)28(14-16)24(30)26-21-7-4-10-31-21/h3-7,10-11,13,16,20,25H,1-2,8-9,12,14H2,(H,26,30)/t16-,20-/m1/s1
PubChem CID56677273
ChEMBLCHEMBL1809025
IUPHARN/A
BindingDB50349661
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
246135C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
246136C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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