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Ligand

NameCHEMBL82890
Molecular formulaC27H34N6O3
IUPAC nameN-[(2-aminophenyl)methyl]-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
Molecular weight490.608
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.1
SynonymsN-(2-Aminobenzyl)-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-dimethylimidazolidine-1-yl)ethyl]-1H-indole-2-carboxamide
Inchi KeyATCZPHDJCTXQRU-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N6O3/c1-27(2)25(35)33(26(36)31-27)14-11-17-9-10-22-20(15-17)19(12-13-32(3)4)23(30-22)24(34)29-16-18-7-5-6-8-21(18)28/h5-10,15,30H,11-14,16,28H2,1-4H3,(H,29,34)(H,31,36)
PubChem CID10838796
ChEMBLCHEMBL82890
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
138285-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390

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