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Ligand

NameCHEMBL7776
Molecular formulaC20H26N2O5S
IUPAC nameethyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-(thiophene-2-carbonylamino)benzoate
Molecular weight406.497
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.7
SynonymsSCHEMBL10789871
Inchi KeyAINRQOUXWHLLIM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26N2O5S/c1-4-26-20(25)16-10-14(22-19(24)18-6-5-9-28-18)7-8-17(16)27-12-15(23)11-21-13(2)3/h5-10,13,15,21,23H,4,11-12H2,1-3H3,(H,22,24)
PubChem CID13306513
ChEMBLCHEMBL7776
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6386Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
6387Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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