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Ligand

NameCHEMBL491855
Molecular formulaC20H24ClN3O4S
IUPAC name2-[4-(thiophene-2-carbonylamino)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight437.939
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.3
SynonymsN/A
Inchi KeyCSDYSQBSRIUXRM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24ClN3O4S/c1-27-17-12-16(22)15(21)11-14(17)20(26)28-9-8-24-6-4-13(5-7-24)23-19(25)18-3-2-10-29-18/h2-3,10-13H,4-9,22H2,1H3,(H,23,25)
PubChem CID42625492
ChEMBLCHEMBL491855
IUPHARN/A
BindingDBN/A
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
493865-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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