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Ligand

NameCHEMBL524153
Molecular formulaC28H32N4O4
IUPAC nameN-[2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,4-diazepan-1-yl]ethyl]-2-phenoxypyridine-3-carboxamide
Molecular weight488.588
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50263774
(S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1,4]diazepan-1-yl]-ethyl}-2-phenoxy-nicotinamide
Inchi KeyRNPCOHCWKNMBRI-QHCPKHFHSA-N
Inchi IDInChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
PubChem CID25110718
ChEMBLCHEMBL524153
IUPHARN/A
BindingDB50263774
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: 20
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
3006795-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3006755-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3006745-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3006875-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3006885-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
300673Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
300682Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
300684Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
300677Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
300691Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
300676Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
300680Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
300685D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
300690D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
300683D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
300672Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
300681Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
300678Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
300689Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
300686Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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