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Ligand

NameCHEMBL109469
Molecular formulaC23H30N2O3S
IUPAC name4-hydroxy-7-[2-[5-(3-phenylpropoxy)pentylamino]ethyl]-3H-1,3-benzothiazol-2-one
Molecular weight414.564
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.4
SynonymsSCHEMBL7838056
L007008
Inchi KeyBBGPMEIVZUGQMU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N2O3S/c26-20-12-11-19(22-21(20)25-23(27)29-22)13-15-24-14-5-2-6-16-28-17-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,11-12,24,26H,2,5-7,10,13-17H2,(H,25,27)
PubChem CID23222156
ChEMBLCHEMBL109469
IUPHARN/A
BindingDBN/A
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
19475Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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