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Ligand

NameCHEMBL3331158
Molecular formulaC25H39N3O3
IUPAC name1-[(2Z)-2-[(2-methylpropan-2-yl)oxyimino]-2-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethyl]piperidin-2-one
Molecular weight429.605
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50026354
Inchi KeyBEANPAMAANUICN-FXFSXJFASA-N
Inchi IDInChI=1S/C25H39N3O3/c1-20-9-7-16-27(20)17-8-18-30-22-13-11-21(12-14-22)23(26-31-25(2,3)4)19-28-15-6-5-10-24(28)29/h11-14,20H,5-10,15-19H2,1-4H3/b26-23+/t20-/m0/s1
PubChem CID118713505
ChEMBLCHEMBL3331158
IUPHARN/A
BindingDB50026354
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
442510Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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