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Ligand

NameCHEMBL71798
Molecular formulaC24H31N3O3
IUPAC name(1R)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
Molecular weight409.53
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
SynonymsRT-015079
(R)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid methylamide
J-012075
BDBM50064787
SCHEMBL8549606
[ Show all ]
Inchi KeyUDLSEQDYARNKTL-HSZRJFAPSA-N
Inchi IDInChI=1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m1/s1
PubChem CID10621491
ChEMBLCHEMBL71798
IUPHARN/A
BindingDB50064787
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
3342025-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3342015-hydroxytryptamine receptor 1BQ9N2B7HTR1BGorilla gorilla gorilla (Western lowland gorilla)390
3342055-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3342045-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
334203D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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