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Ligand

NameCHEMBL158623
Molecular formulaC17H23NO
IUPAC name(1R,2R)-8-methoxy-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
Molecular weight257.377
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.7
SynonymsSCHEMBL8672354
BDBM50046588
N,1beta-Diallyl-8-methoxy-2alpha-tetralinamine
(trans)-Allyl-(1-allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine
Inchi KeyAHJAFUBWGNVAPG-LSDHHAIUSA-N
Inchi IDInChI=1S/C17H23NO/c1-4-7-14-15(18-12-5-2)11-10-13-8-6-9-16(19-3)17(13)14/h4-6,8-9,14-15,18H,1-2,7,10-12H2,3H3/t14-,15+/m0/s1
PubChem CID10061032
ChEMBLCHEMBL158623
IUPHARN/A
BindingDB50046588
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
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GLASS IDNameUniProtGeneSpeciesLength
55995-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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