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Ligand

NameCHEMBL97518
Molecular formulaC22H29N3O2
IUPAC name(6aR,9R)-N-[(2R)-2-(hydroxymethyl)-2-methylbutyl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight367.493
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.9
Synonyms7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (2-hydroxymethyl-2-methyl-butyl)-amide
BDBM50130271
Inchi KeyMLGNCAXDEPBXNR-YIFZBPKDSA-N
Inchi IDInChI=1S/C22H29N3O2/c1-4-22(2,13-26)12-24-21(27)15-8-17-16-6-5-7-18-20(16)14(10-23-18)9-19(17)25(3)11-15/h5-8,10,15,19,23,26H,4,9,11-13H2,1-3H3,(H,24,27)/t15-,19-,22-/m1/s1
PubChem CID44327952
ChEMBLCHEMBL97518
IUPHARN/A
BindingDB50130271
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2083005-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
2083025-hydroxytryptamine receptor 5AP30966Htr5aMus musculus (Mouse)357
2083015-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
2082995-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
2083035-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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