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Ligand

NameCHEMBL3819567
Molecular formulaC24H28N4OS
IUPAC name8-[4-(1,3-benzothiazol-2-yl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight420.575
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50183265
Inchi KeyAVKICTLBRHZUTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
PubChem CID127051516
ChEMBLCHEMBL3819567
IUPHARN/A
BindingDB50183265
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5219085-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5219155-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5219095-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5219145-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5219115-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
521912D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
521913D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
521907D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
521910Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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