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Ligand

NameCHEMBL542436
Molecular formulaC17H25NO2
IUPAC name(1R,3S)-1-(aminomethyl)-3-cyclohexyl-6-methyl-3,4-dihydro-1H-isochromen-5-ol
Molecular weight275.392
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.1
Synonyms1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-ol; hydrobromide
CHEMBL1191350
(1R)-1alpha-(Aminomethyl)-3,4-dihydro-3alpha-cyclohexyl-6-methyl-1H-2-benzopyran-5-ol
BDBM50008825
SCHEMBL9802432
Inchi KeyHSJYTPFWWPUYDT-HOTGVXAUSA-N
Inchi IDInChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1
PubChem CID15711850
ChEMBLN/A
IUPHARN/A
BindingDB50008825
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1228745-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1228735-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
122872Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415
561127D(1) dopamine receptorP35406Carassius auratus (Goldfish)363
122875D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
122871D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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