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Ligand

NameCHEMBL584554
Molecular formulaC26H28N4O2
IUPAC name(6aR,9R)-9-N,9-N-diethyl-7-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7,9-dicarboxamide
Molecular weight428.536
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50299165
(6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7,9(4H)-dicarboxamide
Inchi KeyQIPWTYSOANVUKJ-WZONZLPQSA-N
Inchi IDInChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
PubChem CID45482789
ChEMBLCHEMBL584554
IUPHARN/A
BindingDB50299165
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: 16
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2792355-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2792365-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2792265-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2792385-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
2792275-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
2792325-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
279234Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
279233Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
279231Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
279225C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
279228C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
279230C-X-C chemokine receptor type 3Q9JII9Cxcr3Rattus norvegicus (Rat)367
279239D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
279237D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
279229D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
529444D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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