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Ligand

NameCHEMBL2432051
Molecular formulaC21H27NO3
IUPAC name(8S)-N-[(3,4,5-trimethoxyphenyl)methyl]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Molecular weight341.451
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50440990
Inchi KeyCPLYGLAQLNAQOI-SEDVZXITSA-N
Inchi IDInChI=1S/C21H27NO3/c1-23-14-4-9(5-15(24-2)21(14)25-3)8-22-20-17-11-7-12-16-10(11)6-13(17)18(16)19(12)20/h4-5,10-13,16-20,22H,6-8H2,1-3H3/t10?,11?,12?,13?,16?,17?,18?,19?,20-/m0/s1
PubChem CID73349359
ChEMBLCHEMBL2432051
IUPHARN/A
BindingDB50440990
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: 36
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
474775-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
474795-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
475035-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
474805-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
474995-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
475045-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
475015-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
474745-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
474815-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
474965-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
47487Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
47489Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
47483Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
47497Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
47498Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
47472Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
47484Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
47494Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
47488Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
47493D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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