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Ligand

NameCHEMBL1809029
Molecular formulaC27H34N4O2
IUPAC name(6aR,9R)-N-cycloheptyl-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight446.595
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50349664
Inchi KeyQKYAHULHYHXUAH-NTKDMRAZSA-N
Inchi IDInChI=1S/C27H34N4O2/c32-26(30-12-5-6-13-30)19-14-22-21-10-7-11-23-25(21)18(16-28-23)15-24(22)31(17-19)27(33)29-20-8-3-1-2-4-9-20/h7,10-11,14,16,19-20,24,28H,1-6,8-9,12-13,15,17H2,(H,29,33)/t19-,24-/m1/s1
PubChem CID56667009
ChEMBLCHEMBL1809029
IUPHARN/A
BindingDB50349664
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
280820C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
280821C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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