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Ligand

Namemethylergonovine
Molecular formulaC20H25N3O2
IUPAC name(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight339.439
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.3
SynonymsMetilergometrina
9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-6-methylergoline-8-carboxamide
NCGC00017258-06
Biomol-NT_000154
SBI-0050771.P004
[ Show all ]
Inchi KeyUNBRKDKAWYKMIV-QWQRMKEZSA-N
Inchi IDInChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
PubChem CID8226
ChEMBLCHEMBL1201356
IUPHAR150
BindingDB50330860
DrugBankDB00353

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
3407405-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
3407345-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
3407365-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
3407355-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
3407315-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5549735-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
3407295-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3407335-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
3407385-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3407395-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5568775-hydroxytryptamine receptor 7P50407HTR7Cavia porcellus (Guinea pig)446
340741Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
340732Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
340730D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
340737D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
340743D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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