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Ligand

NameCHEMBL266290
Molecular formulaC14H21NO3
IUPAC name4-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)benzene-1,2-diol
Molecular weight251.326
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP1.5
SynonymsAKOS022664643
4-(3-Hydroxy-1-isopropyl-piperidin-3-yl)-benzene-1,2-diol
BDBM50000497
Inchi KeyMBUKMBGVKHZMRE-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H21NO3/c1-10(2)15-7-3-6-14(18,9-15)11-4-5-12(16)13(17)8-11/h4-5,8,10,16-18H,3,6-7,9H2,1-2H3
PubChem CID13599050
ChEMBLCHEMBL266290
IUPHARN/A
BindingDB50000497
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
201664Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
201663Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418
201665Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418

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