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Ligand

NameCHEMBL162170
Molecular formulaC15H21NO2
IUPAC name(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
Molecular weight247.338
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50016884
UNII-OMX9W40D1U component BJMSUUATNLDQQZ-DGCLKSJQSA-N
1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthren-8-ol
1,3,4,4abeta,5,10balpha-Hexahydro-4-propyl-2H-[1]benzopyrano[3,4-b]pyridin-7-ol
Inchi KeyBJMSUUATNLDQQZ-DGCLKSJQSA-N
Inchi IDInChI=1S/C15H21NO2/c1-2-8-16-9-4-6-11-12-5-3-7-14(17)15(12)18-10-13(11)16/h3,5,7,11,13,17H,2,4,6,8-10H2,1H3/t11-,13-/m1/s1
PubChem CID14151647
ChEMBLCHEMBL162170
IUPHARN/A
BindingDB50016884
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
252785-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
252805-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
25279Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

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