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Ligand

NameCHEMBL1809001
Molecular formulaC28H30N4O2
IUPAC name(6aR,9R)-9-(azepane-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight454.574
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50349642
Inchi KeyHRLSOMUMSXEQJD-CJFMBICVSA-N
Inchi IDInChI=1S/C28H30N4O2/c33-27(31-13-6-1-2-7-14-31)20-15-23-22-11-8-12-24-26(22)19(17-29-24)16-25(23)32(18-20)28(34)30-21-9-4-3-5-10-21/h3-5,8-12,15,17,20,25,29H,1-2,6-7,13-14,16,18H2,(H,30,34)/t20-,25-/m1/s1
PubChem CID56660100
ChEMBLCHEMBL1809001
IUPHARN/A
BindingDB50349642
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
122188C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
122189C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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