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Ligand

NameCHEMBL1809019
Molecular formulaC27H28N4O3
IUPAC name(6aR,9R)-N-(3-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight456.546
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50349681
Inchi KeyAJJWUOIBOYHNPE-HOYKHHGWSA-N
Inchi IDInChI=1S/C27H28N4O3/c1-34-20-7-4-6-19(14-20)29-27(33)31-16-18(26(32)30-10-2-3-11-30)12-22-21-8-5-9-23-25(21)17(15-28-23)13-24(22)31/h4-9,12,14-15,18,24,28H,2-3,10-11,13,16H2,1H3,(H,29,33)/t18-,24-/m1/s1
PubChem CID56670451
ChEMBLCHEMBL1809019
IUPHARN/A
BindingDB50349681
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
6979C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
6980C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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