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Ligand

NameCHEMBL1809017
Molecular formulaC26H25FN4O2
IUPAC name(6aR,9R)-N-(4-fluorophenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight444.51
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50349657
Inchi KeyBHHSURAGESLEOB-UZUQRXQVSA-N
Inchi IDInChI=1S/C26H25FN4O2/c27-18-6-8-19(9-7-18)29-26(33)31-15-17(25(32)30-10-1-2-11-30)12-21-20-4-3-5-22-24(20)16(14-28-22)13-23(21)31/h3-9,12,14,17,23,28H,1-2,10-11,13,15H2,(H,29,33)/t17-,23-/m1/s1
PubChem CID56677271
ChEMBLCHEMBL1809017
IUPHARN/A
BindingDB50349657
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
23765C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
23766C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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