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Ligand

NameCHEMBL543389
Molecular formulaC20H31NO2
IUPAC name(1R,3S)-3-cyclohexyl-6-methyl-1-(propylaminomethyl)-3,4-dihydro-1H-isochromen-5-ol
Molecular weight317.473
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.6
Synonyms(1R)-1alpha-(Propylaminomethyl)-3,4-dihydro-3alpha-cyclohexyl-6-methyl-1H-2-benzopyran-5-ol
BDBM50008826
3-Cyclohexyl-6-methyl-1-propylaminomethyl-isochroman-5-ol; hydrochloride
CHEMBL1192193
Inchi KeyHNIPUZVIZRFWRR-OALUTQOASA-N
Inchi IDInChI=1S/C20H31NO2/c1-3-11-21-13-19-16-10-9-14(2)20(22)17(16)12-18(23-19)15-7-5-4-6-8-15/h9-10,15,18-19,21-22H,3-8,11-13H2,1-2H3/t18-,19-/m0/s1
PubChem CID15711852
ChEMBLN/A
IUPHARN/A
BindingDB50008826
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
561011D(1) dopamine receptorP35406Carassius auratus (Goldfish)363
119398D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
119399D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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