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Ligand

NameCHEMBL422024
Molecular formulaC14H19NO2
IUPAC name(4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
Molecular weight233.311
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50016886
1,5-Dimethyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthren-8-ol
Inchi KeyLJXJXZFDHJGEBQ-WDEREUQCSA-N
Inchi IDInChI=1S/C14H19NO2/c1-9-5-6-12(16)14-13(9)10-4-3-7-15(2)11(10)8-17-14/h5-6,10-11,16H,3-4,7-8H2,1-2H3/t10-,11+/m0/s1
PubChem CID14450375
ChEMBLCHEMBL422024
IUPHARN/A
BindingDB50016886
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
1893245-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1893255-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
189323Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

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