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Ligand

NameCHEMBL63825
Molecular formulaC31H29F3N6O5S
IUPAC nameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[4-[[4-(trifluoromethoxy)phenoxy]methyl]triazol-2-yl]benzenesulfonamide
Molecular weight654.665
Hydrogen bond acceptor13
Hydrogen bond donor3
XlogP4.7
SynonymsN-[4-[2-[[(R)-2-(3-Pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-4-[4-[4-(trifluoromethoxy)phenoxymethyl]-2H-1,2,3-triazole-2-yl]benzenesulfonamide
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[4-(4-trifluoromethoxy-phenoxymethyl)-[1,2,3]triazol-2-yl]-benzenesulfonamide
BDBM50092027
Inchi KeyAWIMPECZNODLQB-PMERELPUSA-N
Inchi IDInChI=1S/C31H29F3N6O5S/c32-31(33,34)45-28-11-9-27(10-12-28)44-21-25-19-37-40(38-25)26-7-13-29(14-8-26)46(42,43)39-24-5-3-22(4-6-24)15-17-36-20-30(41)23-2-1-16-35-18-23/h1-14,16,18-19,30,36,39,41H,15,17,20-21H2/t30-/m0/s1
PubChem CID12049926
ChEMBLCHEMBL63825
IUPHARN/A
BindingDB50092027
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16055Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
16054Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
16053Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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