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Ligand

NameCHEMBL1809042
Molecular formulaC33H40N6O2
IUPAC name(6aR,9R)-4-[2-(4-methylpiperazin-1-yl)ethyl]-N-phenyl-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7-carboxamide
Molecular weight552.723
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50349676
Inchi KeyVZOONFQHHAHGLM-FYBSXPHGSA-N
Inchi IDInChI=1S/C33H40N6O2/c1-35-14-16-36(17-15-35)18-19-38-22-24-21-30-28(27-10-7-11-29(38)31(24)27)20-25(32(40)37-12-5-6-13-37)23-39(30)33(41)34-26-8-3-2-4-9-26/h2-4,7-11,20,22,25,30H,5-6,12-19,21,23H2,1H3,(H,34,41)/t25-,30-/m1/s1
PubChem CID56663562
ChEMBLCHEMBL1809042
IUPHARN/A
BindingDB50349676
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
368082C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
368083C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
368084C-X-C chemokine receptor type 3Q9JII9Cxcr3Rattus norvegicus (Rat)367

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