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Ligand

NameCHEMBL1864946
Molecular formulaC23H29N3O3
IUPAC nameN-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-methylpropanamide
Molecular weight395.503
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsMolPort-003-373-486
HMS1902B18
AKOS002049083
N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-methylpropanamide
MCULE-7991739308
[ Show all ]
Inchi KeyABOZICVTOXROBG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29N3O3/c1-17(2)23(27)24-15-20(18-8-9-21-22(14-18)29-16-28-21)26-12-10-25(11-13-26)19-6-4-3-5-7-19/h3-9,14,17,20H,10-13,15-16H2,1-2H3,(H,24,27)
PubChem CID16031995
ChEMBLCHEMBL1864946
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
463080Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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