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Ligand

NameLergotrile [USAN:INN]
Molecular formulaC17H18ClN3
IUPAC name2-(5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)acetonitrile
Molecular weight299.802
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.3
SynonymsCHEMBL284614
(5-Chloro-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-acetonitrile
AC1L1Y12
LS-64308
Ergoline-8-acetonitrile, 2-chloro-6-methyl-, (8beta)-
[ Show all ]
Inchi KeyJKAHWGPTNVUTNB-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3
PubChem CID37586
ChEMBLN/A
IUPHARN/A
BindingDB50028672
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1528025-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436

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