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Ligand

NameCHEMBL29808
Molecular formulaC20H22N4
IUPAC name3-[[4-(4-ethenylphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight318.424
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
Synonyms3-[4-(4-Vinyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
BDBM50099889
Inchi KeyHGWVDBLPHYBBTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)
PubChem CID44278115
ChEMBLCHEMBL29808
IUPHARN/A
BindingDB50099889
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: 23
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
1146425-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1146305-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1146365-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1146265-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
1146375-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1146285-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1146465-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
1146445-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
1146325-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
114633D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
114647D(1B) dopamine receptorP25115Drd5Rattus norvegicus (Rat)475
114629D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
114645D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
114641D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
114643Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
114638Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
114627Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
114640Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
114634Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
114631Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

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