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Ligand

NameCHEMBL181118
Molecular formulaC20H19N3O3
IUPAC nameN-(2-methylpropyl)-1-(3-nitrophenyl)isoquinoline-3-carboxamide
Molecular weight349.39
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsN/A
Inchi KeyVPFOKVXTMNUAPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19N3O3/c1-13(2)12-21-20(24)18-11-14-6-3-4-9-17(14)19(22-18)15-7-5-8-16(10-15)23(25)26/h3-11,13H,12H2,1-2H3,(H,21,24)
PubChem CID44390469
ChEMBLCHEMBL181118
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
360822Thyrotropin-releasing hormone receptorP21761TrhrMus musculus (Mouse)393

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