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Ligand

NameCHEMBL11178
Molecular formulaC25H28N4O4S
IUPAC name1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[5-(5-thiophen-2-yl-1H-imidazol-2-yl)pyridin-2-yl]oxypropan-2-ol
Molecular weight480.583
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.2
SynonymsBDBM50405410
Inchi KeyCHGOMLLLZPHCNH-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N4O4S/c1-31-21-7-5-17(12-22(21)32-2)9-10-26-14-19(30)16-33-24-8-6-18(13-27-24)25-28-15-20(29-25)23-4-3-11-34-23/h3-8,11-13,15,19,26,30H,9-10,14,16H2,1-2H3,(H,28,29)
PubChem CID13621796
ChEMBLCHEMBL11178
IUPHARN/A
BindingDB50405410
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
41967Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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