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Ligand

NameSMR000023652
Molecular formulaC21H18N2O2
IUPAC name4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
Molecular weight330.387
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.6
SynonymsMLS000087429
3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-4,5-dihydronaphtho[2,1-d]isoxazole
4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
AC1MMLZX
CHEMBL1407298
[ Show all ]
Inchi KeyAFWYPXFMWSVCIU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18N2O2/c24-21(23-12-11-14-5-1-2-7-16(14)13-23)19-18-10-9-15-6-3-4-8-17(15)20(18)25-22-19/h1-8H,9-13H2
PubChem CID3240834
ChEMBLCHEMBL1407298
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
4580Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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