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Ligand

NameMLS003125590
Molecular formulaC22H25NO3
IUPAC nameethyl 1-(4-phenylbenzoyl)azepane-4-carboxylate
Molecular weight351.446
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.1
SynonymsCHEMBL2139404
SMR001274830
Inchi KeyADAZYBDLWVPZTI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25NO3/c1-2-26-22(25)20-9-6-15-23(16-14-20)21(24)19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3
PubChem CID46947923
ChEMBLCHEMBL2139404
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
2097Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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