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Ligand

NameCHEMBL421193
Molecular formulaC22H20ClNO7-2
IUPAC name(6S)-6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-cyclohepta[f][1,3]benzodioxole-2,2-dicarboxylate
Molecular weight445.852
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.1
SynonymsDisodium salt of (S)-6-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-6,7,8,9-tetrahydro-5H-1,3-dioxa-cyclohepta[f]indene-2,2-dicarboxylic acid
BDBM50285930
FR-165914
Inchi KeyGWMSTQYZVVPMPN-IRXDYDNUSA-L
Inchi IDInChI=1S/C22H22ClNO7/c23-15-5-1-4-13(7-15)17(25)11-24-16-6-2-3-12-9-18-19(10-14(12)8-16)31-22(30-18,20(26)27)21(28)29/h1,4-5,7,9-10,16-17,24-25H,2-3,6,8,11H2,(H,26,27)(H,28,29)/p-2/t16-,17-/m0/s1
PubChem CID91934834
ChEMBLN/A
IUPHARN/A
BindingDB50285930
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
107060Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415
107059Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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