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Ligand

NameCHEMBL418854
Molecular formulaC22H27ClN2O3
IUPAC nameN-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-[1-(2-methoxyphenyl)piperidin-4-yl]methanamine
Molecular weight402.919
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
Synonyms170353-17-0
L018296
(7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(2-methoxy-phenyl)-piperidin-4-ylmethyl]-amine
SCHEMBL6767394
BDBM50079939
[ Show all ]
Inchi KeyQHLRKDSRGUZHSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
PubChem CID9865858
ChEMBLCHEMBL418854
IUPHARN/A
BindingDB50079939
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: 15
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2784145-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2784155-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2784115-hydroxytryptamine receptor 1BP79399HTR1BSus scrofa (Pig)150
2784215-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2784245-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
2784205-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
2784225-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
278413Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
278410D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
278423D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
278412D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
278417D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
278418D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
278416D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
278419Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486

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