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Ligand

NameCHEMBL95251
Molecular formulaC19H31NO2
IUPAC name1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclooctan-1-ol
Molecular weight305.462
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50010889
SCHEMBL10616028
1-[2-Dimethylamino-1-(4-methoxy-phenyl)-ethyl]-cyclooctanol(HCl.0.25H2O)
1-[1-(4-Methoxyphenyl)-2-dimethylaminoethyl]cyclooctanol
Inchi KeyAVKJVFWDPNCBFB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H31NO2/c1-20(2)15-18(16-9-11-17(22-3)12-10-16)19(21)13-7-5-4-6-8-14-19/h9-12,18,21H,4-8,13-15H2,1-3H3
PubChem CID13520339
ChEMBLCHEMBL95251
IUPHARN/A
BindingDB50010889
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
15359Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466

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