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Ligand

NameCHEMBL32590
Molecular formulaC20H18ClNO7-2
IUPAC name5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight419.814
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.7
Synonyms5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylate anion; disodium
disodium 5-[2-[2-(3-chlorophenyl)-2-hydroxyethylamino]-(2R)-propyl]benzo[d][1,3]dioxole-2,2-dicarboxylate(CL 316,243)
BDBM50002134
CL-316243
5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid;Disodium salt
[ Show all ]
Inchi KeyJEDJMKTVUPSHFW-ABAIWWIYSA-L
Inchi IDInChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1
PubChem CID24867844
ChEMBLN/A
IUPHARN/A
BindingDB50002134
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
148728Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
148731Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
148729Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
460573Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
148730Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
148732Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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