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Ligand

NameCHEMBL28651
Molecular formulaC19H22N4S
IUPAC name3-[[4-(4-methylsulfanylphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight338.473
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50099892
SCHEMBL5199201
3-[4-(4-Methylsulfanyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
Inchi KeyTYDSNTMUQPPTLL-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
PubChem CID10020040
ChEMBLCHEMBL28651
IUPHARN/A
BindingDB50099892
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: 22
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
3303575-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3303545-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3303535-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3303425-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
3303585-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3303605-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3303455-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
3303405-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
3303435-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
330344D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
330355D(1B) dopamine receptorP25115Drd5Rattus norvegicus (Rat)475
330349D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
330341D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
330356D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
330346Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
330351Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
330359Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
330347Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
330350Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
330339Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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