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Ligand

NameCHEMBL1807874
Molecular formulaC23H31N3O4S
IUPAC name4-hydroxy-7-[(1R)-1-hydroxy-2-[3-[2-[methyl(2-phenylethyl)amino]ethoxy]propylamino]ethyl]-3H-1,3-benzothiazol-2-one
Molecular weight445.578
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.2
SynonymsBDBM50418947
Inchi KeyAJVZNDDUZGAVJT-FQEVSTJZSA-N
Inchi IDInChI=1S/C23H31N3O4S/c1-26(12-10-17-6-3-2-4-7-17)13-15-30-14-5-11-24-16-20(28)18-8-9-19(27)21-22(18)31-23(29)25-21/h2-4,6-9,20,24,27-28H,5,10-16H2,1H3,(H,25,29)/t20-/m0/s1
PubChem CID56670092
ChEMBLCHEMBL1807874
IUPHARN/A
BindingDB50418947
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7284Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
7285Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
7283D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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