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Ligand

NameN-Allyl Brucine Iodide
Molecular formulaC26H31N2O4+
IUPAC name(4aR,5aS,8aS,13aS,15aS,15bR)-10,11-dimethoxy-6-prop-2-enyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
Molecular weight435.544
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.6
SynonymsCHEMBL140076
19-Allyl-2,3-dimethoxy-10-oxostrychnidine-19-ium
Inchi KeyAONOIOROLLXNKA-NZKWEKDOSA-N
Inchi IDInChI=1S/C26H31N2O4/c1-4-7-28-8-6-26-17-11-19(30-2)20(31-3)12-18(17)27-23(29)13-21-24(25(26)27)16(10-22(26)28)15(14-28)5-9-32-21/h4-5,11-12,16,21-22,24-25H,1,6-10,13-14H2,2-3H3/q+1/t16-,21-,22-,24-,25-,26+,28?/m0/s1
PubChem CID10793015
ChEMBLCHEMBL140076
IUPHARN/A
BindingDBN/A
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
10388Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
10389Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
10387Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
10391Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
10390Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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