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Ligand

NameCHEMBL1809014
Molecular formulaC26H26N4O3
IUPAC name(6aR,9R)-9-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Molecular weight442.519
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP1.9
SynonymsBDBM50349654
Inchi KeyYGQOORWVQMHJON-HFJQGTKSSA-N
Inchi IDInChI=1S/C26H26N4O3/c31-19-9-10-29(15-19)25(32)17-11-21-20-7-4-8-22-24(20)16(13-27-22)12-23(21)30(14-17)26(33)28-18-5-2-1-3-6-18/h1-8,11,13,17,19,23,27,31H,9-10,12,14-15H2,(H,28,33)/t17-,19+,23-/m1/s1
PubChem CID56670449
ChEMBLCHEMBL1809014
IUPHARN/A
BindingDB50349654
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
409726C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
409727C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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