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Ligand

NameCHEMBL177101
Molecular formulaC13H16F4N2O2S
IUPAC name(3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Molecular weight340.337
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.2
Synonyms(3r)-3-(Fluoromethyl)-N-(3,3,3-Trifluoropropyl)-1,2,3,4-Tetrahydroisoquinoline-7-Sulfonamide
BDBM50163108
ZINC13581899
DB07798
(R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid (3,3,3-trifluoro-propyl)-amide
Inchi KeyBBUDQLKRZPRPFD-LLVKDONJSA-N
Inchi IDInChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2/t11-/m1/s1
PubChem CID11349402
ChEMBLCHEMBL177101
IUPHARN/A
BindingDB50163108
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19847Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450

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