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Ligand

NameCHEMBL3899832
Molecular formulaC22H19N5O4
IUPAC name1-[2-hydroxy-3-methyl-4-[[4-[4-(2H-tetrazol-5-yl)pyridin-2-yl]oxyphenyl]methoxy]phenyl]ethanone
Molecular weight417.425
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50207400
SCHEMBL3163790
Inchi KeyAJLRUYZRQDKJFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
PubChem CID11596869
ChEMBLCHEMBL3899832
IUPHARN/A
BindingDB50207400
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: 26
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
5361235-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5361325-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5361475-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5361225-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5361455-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
5361395-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5361345-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5361335-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5361265-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
5361405-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
5361435-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5361245-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
536136Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
536144Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
536146Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
536127Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
536138D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
536131D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
536128Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
536129Histamine H2 receptorP25021HRH2Homo sapiens (Human)359

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