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Ligand

NameCHEMBL3753306
Molecular formulaC21H19N3O2
IUPAC name(1R)-1-naphthalen-1-yl-N-[(7-nitro-1H-indol-2-yl)methyl]ethanamine
Molecular weight345.402
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.4
Synonyms(1R)-N-(7-Nitro-1H-indole-2-ylmethyl)-1-(1-naphthyl)ethanamine
BDBM50140173
J3.541.103H
Inchi KeyVFNKRNJLVCWDAT-CQSZACIVSA-N
Inchi IDInChI=1S/C21H19N3O2/c1-14(18-10-4-7-15-6-2-3-9-19(15)18)22-13-17-12-16-8-5-11-20(24(25)26)21(16)23-17/h2-12,14,22-23H,13H2,1H3/t14-/m1/s1
PubChem CID127036924
ChEMBLCHEMBL3753306
IUPHARN/A
BindingDB50140173
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
531482Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079

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