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Ligand

NameCHEMBL174274
Molecular formulaC14H21FN2O3S
IUPAC name(3R)-3-(fluoromethyl)-N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Molecular weight316.391
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.9
Synonyms(R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid (3-methoxy-propyl)-amide
BDBM50163106
Inchi KeyDUVDGPSZMWUUNP-CYBMUJFWSA-N
Inchi IDInChI=1S/C14H21FN2O3S/c1-20-6-2-5-17-21(18,19)14-4-3-11-7-13(9-15)16-10-12(11)8-14/h3-4,8,13,16-17H,2,5-7,9-10H2,1H3/t13-/m1/s1
PubChem CID11772571
ChEMBLCHEMBL174274
IUPHARN/A
BindingDB50163106
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
69482Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450

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