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Ligand

NameCHEMBL197796
Molecular formulaC24H33N5O2S
IUPAC nameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-methylsulfanylphenyl)piperazine-1-carboxamide
Molecular weight455.621
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.1
Synonyms4-(4-Methylsulfanyl-phenyl)-piperazine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
BDBM50173094
Inchi KeyBNXUKTBRYQQOIZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H33N5O2S/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)31-2)25-24(30)29-16-14-27(15-17-29)20-5-7-21(32-3)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
PubChem CID44403105
ChEMBLCHEMBL197796
IUPHARN/A
BindingDB50173094
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: 21
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
285295-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
285385-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
285265-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
285375-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
285275-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
285255-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
285285-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
28543D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
28533D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
28532D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
28536D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
28534D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
28531Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
28530Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
28535Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
28542Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
28540Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
28544Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
28539Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
28524Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479

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