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Ligand

NameCHEMBL3329811
Molecular formulaC25H32N2O5
IUPAC name3-[[4-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonyloxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid
Molecular weight440.54
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.4
SynonymsBDBM50023367
Inchi KeyBDEZLCMWCGXDMA-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32N2O5/c28-24(29)19-7-6-18(14-19)15-26-11-8-17(9-12-26)16-32-25(30)22-20-4-1-2-5-21(20)27-10-3-13-31-23(22)27/h1-2,4-5,17-19H,3,6-16H2,(H,28,29)
PubChem CID118712578
ChEMBLCHEMBL3329811
IUPHARN/A
BindingDB50023367
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
4424975-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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