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Ligand

NameCHEMBL218930
Molecular formulaC18H24F3N3O
IUPAC name(2S)-2-(pyrrolidin-1-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
Molecular weight355.405
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50193202
(S)-N-(3-(trifluoromethyl)benzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
Inchi KeyAGOURBNJZXFZGH-INIZCTEOSA-N
Inchi IDInChI=1S/C18H24F3N3O/c19-18(20,21)15-6-3-5-14(11-15)12-22-17(25)24-10-4-7-16(24)13-23-8-1-2-9-23/h3,5-6,11,16H,1-2,4,7-10,12-13H2,(H,22,25)/t16-/m0/s1
PubChem CID44418534
ChEMBLCHEMBL218930
IUPHARN/A
BindingDB50193202
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
5083Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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