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Ligand

NameIsoindoline, 26
Molecular formulaC24H28FN3O2
IUPAC name3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol
Molecular weight409.505
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM84459
Inchi KeyAJTFQQUHXJLYJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28FN3O2/c25-20-5-6-22-23(13-20)30-26-24(22)18-8-11-28(12-9-18)21(16-29)15-27-10-7-17-3-1-2-4-19(17)14-27/h1-6,13,18,21,29H,7-12,14-16H2
PubChem CID57339707
ChEMBLN/A
IUPHARN/A
BindingDB84459
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7218Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
7220D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
7219D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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