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Ligand

NameCHEMBL494702
Molecular formulaC25H28FNO5
IUPAC nameethyl 6-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxylate
Molecular weight441.499
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50412721
Inchi KeyAKMIHZSKBZGYES-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28FNO5/c1-3-31-25(30)24-15(2)22-20(28)12-16(13-21(22)32-24)14-27-10-8-18(9-11-27)23(29)17-4-6-19(26)7-5-17/h4-7,16,18H,3,8-14H2,1-2H3
PubChem CID25131829
ChEMBLCHEMBL494702
IUPHARN/A
BindingDB50412721
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
76885-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
76875-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
7689D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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