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Ligand

NameCHEMBL322722
Molecular formulaC22H30N2O5S3
IUPAC name4-hydroxy-7-[2-[3-[2-[3-(5-methylthiophen-2-yl)propoxy]ethylsulfonyl]propylamino]ethyl]-3H-1,3-benzothiazol-2-one
Molecular weight498.671
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.2
SynonymsN/A
Inchi KeyBBUIQTAEZIRYKH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N2O5S3/c1-16-5-7-18(30-16)4-2-12-29-13-15-32(27,28)14-3-10-23-11-9-17-6-8-19(25)20-21(17)31-22(26)24-20/h5-8,23,25H,2-4,9-15H2,1H3,(H,24,26)
PubChem CID44338979
ChEMBLCHEMBL322722
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
19855Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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