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Ligand

NameCHEMBL61817
Molecular formulaC19H22N4O4
IUPAC name5-[2-[[(2R)-2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethoxy]-1-methylindole-2-carboxylic acid
Molecular weight370.409
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP-1.5
SynonymsBDBM50073052
5-{2-[(R)-2-(6-Amino-pyridin-3-yl)-2-hydroxy-ethylamino]-ethoxy}-1-methyl-1H-indole-2-carboxylic acid
Inchi KeyAPJZGORQENFTMG-KRWDZBQOSA-N
Inchi IDInChI=1S/C19H22N4O4/c1-23-15-4-3-14(8-13(15)9-16(23)19(25)26)27-7-6-21-11-17(24)12-2-5-18(20)22-10-12/h2-5,8-10,17,21,24H,6-7,11H2,1H3,(H2,20,22)(H,25,26)/t17-/m0/s1
PubChem CID9820697
ChEMBLCHEMBL61817
IUPHARN/A
BindingDB50073052
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
11075Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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