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Ligand

NameCHEMBL123119
Molecular formulaC21H32N2O2
IUPAC name1-[10-(aminomethyl)-2-methoxy-5-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[f]indol-1-yl]pentan-1-one
Molecular weight344.499
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.2
SynonymsN/A
Inchi KeyAYTZUXJMCXLTAG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H32N2O2/c1-4-5-10-19(24)23-20(25-3)12-15-11-17-14(2)8-6-7-9-16(17)18(13-22)21(15)23/h11-12,14,16-17H,4-10,13,22H2,1-3H3
PubChem CID44347098
ChEMBLCHEMBL123119
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
17788Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350

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