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Ligand

NameCHEMBL162282
Molecular formulaC15H21NO2
IUPAC name(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-8-ol
Molecular weight247.338
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50016885
1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthren-7-ol
Inchi KeyCQEATFKLDYHKCI-TZMCWYRMSA-N
Inchi IDInChI=1S/C15H21NO2/c1-2-7-16-8-3-4-12-13-6-5-11(17)9-15(13)18-10-14(12)16/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3/t12-,14-/m1/s1
PubChem CID14151624
ChEMBLCHEMBL162282
IUPHARN/A
BindingDB50016885
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
479785-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
479765-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
47977Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

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