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Ligand

NameCHEMBL282829
Molecular formulaC20H24N4
IUPAC name3-[[4-(4-ethylphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight320.44
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
SynonymsSCHEMBL5198948
BDBM50099888
3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
Inchi KeyFKHBXKAEVUTBRK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N4/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/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
PubChem CID19958507
ChEMBLCHEMBL282829
IUPHARN/A
BindingDB50099888
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
804275-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
804425-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
804375-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
804465-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
804445-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
804435-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
804335-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
804455-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
804395-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
80430D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
80432D(1B) dopamine receptorP25115Drd5Rattus norvegicus (Rat)475
80428D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
80441D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
80431D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
80426Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
80425Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
80435Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
80440Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
80434Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
80436Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

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