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Ligand

NameSMR000102200
Molecular formulaC21H28N2O3
IUPAC name4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
Molecular weight356.466
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsAKOS005400819
MLS000105319
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxy-phenol
Oprea1_187699
ZINC55543493
[ Show all ]
Inchi KeyFMKSCNHGTVSCMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28N2O3/c1-15-6-5-7-18(16(15)2)23-10-8-22(9-11-23)14-17-12-19(25-3)21(24)20(13-17)26-4/h5-7,12-13,24H,8-11,14H2,1-4H3
PubChem CID1377033
ChEMBLCHEMBL1511639
IUPHARN/A
BindingDB31038
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
819875-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
819865-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
81988Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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