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Ligand

NameCHEMBL69385
Molecular formulaC23H29N3O3
IUPAC name1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide
Molecular weight395.503
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.5
SynonymsSCHEMBL7403625
1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
1-[2-[4-(4-Methoxyphenyl)piperazine-1-yl]ethyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide
BDBM50064785
Inchi KeyOCFFXDBBLHVFSW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29N3O3/c1-28-20-5-3-19(4-6-20)26-13-11-25(12-14-26)10-8-22-21-7-2-18(23(24)27)16-17(21)9-15-29-22/h2-7,16,22H,8-15H2,1H3,(H2,24,27)
PubChem CID23288790
ChEMBLCHEMBL69385
IUPHARN/A
BindingDB50064785
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2376895-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2376885-hydroxytryptamine receptor 1BQ9N2B7HTR1BGorilla gorilla gorilla (Western lowland gorilla)390
2376855-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2376875-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
237684D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
237686D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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