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Ligand

Namemetergoline
Molecular formulaC25H29N3O2
IUPAC namebenzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]carbamate
Molecular weight403.526
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsNCGC00022834-06
CCG-204811
Prestwick3_000364
D-8-beta-((Carboxyamino)methyl)-1,6-dimethylergoline I benzyl ester
SR-01000000003-4
[ Show all ]
Inchi KeyWZHJKEUHNJHDLS-QTGUNEKASA-N
Inchi IDInChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
PubChem CID28693
ChEMBLCHEMBL19215
IUPHAR133
BindingDB30704
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: 56
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
3861295-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3861435-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
3861115-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3861165-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
3861175-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374
3861385-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3861255-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
3861095-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
3861505-hydroxytryptamine receptor 1FP30940Htr1fRattus norvegicus (Rat)366
3861205-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3861585-hydroxytryptamine receptor 2AP50128HTR2AMacaca mulatta (Rhesus macaque)471
3861615-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
5571025-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
3861155-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3861565-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
3861245-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
3861395-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3861265-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
3861535-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
3861135-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357

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