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Ligand

NameCHEMBL112994
Molecular formulaC22H29N3O5S2
IUPAC nameN-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-2-(3-phenylpropoxy)ethanesulfonamide
Molecular weight479.61
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.4
SynonymsN/A
Inchi KeyACFQPMMWHGOWAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29N3O5S2/c26-19-9-8-18(21-20(19)25-22(27)31-21)10-11-23-12-13-24-32(28,29)16-15-30-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,23-24,26H,4,7,10-16H2,(H,25,27)
PubChem CID44338967
ChEMBLCHEMBL112994
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1518Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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