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Ligand

NameCHEMBL445106
Molecular formulaC12H14BrNO2
IUPAC name(4S,6R)-11-bromo-9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-6-amine
Molecular weight284.153
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.9
Synonyms(2aS)-6-Methoxy-8-bromo-2aalpha,3,4,5-tetrahydro-2H-naphtho[1,8-bc]furan-4beta-amine
8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc]furan-4-ylamine
(2aS,4R)-8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc]furan-4-ylamine
BDBM50064706
Inchi KeyCLZKGXPLDDUCQZ-RNFRBKRXSA-N
Inchi IDInChI=1S/C12H14BrNO2/c1-15-10-4-9(13)12-11-6(5-16-12)2-7(14)3-8(10)11/h4,6-7H,2-3,5,14H2,1H3/t6-,7-/m1/s1
PubChem CID10085260
ChEMBLCHEMBL445106
IUPHARN/A
BindingDB50064706
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: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
451485-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
451425-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
451445-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
451505-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
451435-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
451455-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
45146Muscarinic acetylcholine receptor M1P12657Chrm1Mus musculus (Mouse)460
45151Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
45147Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
45149Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478
45152Muscarinic acetylcholine receptor M5P08911Chrm5Rattus norvegicus (Rat)531

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