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Ligand

NameCHEMBL343755
Molecular formulaC21H25N3O
IUPAC name[(2S,4S)-2,4-dimethylazetidin-1-yl]-[(9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanone
Molecular weight335.451
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50118579
PDSP2_001209
Inchi KeyDUKNIHFTDAXJON-ORPLUIKVSA-N
Inchi IDInChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13-,15+,19?/m0/s1
PubChem CID10472143
ChEMBLCHEMBL343755
IUPHARN/A
BindingDB50118579
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: 17
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
691705-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
691635-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
691765-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
691615-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
691775-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
691625-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
691655-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
691695-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
691675-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
69175Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
69174Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
69173D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
69164D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
69166D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
69168D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
69172D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
69171Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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