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Ligand

NameCHEMBL544661
Molecular formulaC21H35NO4S
IUPAC name1-[4-[2-(cyclohexylmethylsulfonyl)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular weight397.574
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50405519
CHEMBL1193283
Inchi KeyADDQCNYUROCHIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H35NO4S/c1-17(2)22-14-20(23)15-26-21-10-8-18(9-11-21)12-13-27(24,25)16-19-6-4-3-5-7-19/h8-11,17,19-20,22-23H,3-7,12-16H2,1-2H3
PubChem CID44264149
ChEMBLN/A
IUPHARN/A
BindingDB50405519
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
2145Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466

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