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Ligand

NameCHEMBL328641
Molecular formulaC25H31N5O4
IUPAC nameN-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
Molecular weight465.554
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
Synonyms3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid [2-(4-benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-ethyl]-amide
BDBM50079303
Inchi KeyDFQXKEOLEVYFLU-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N5O4/c1-18(2)29-20-5-3-4-6-21(20)30(25(29)32)24(31)26-9-10-27-11-13-28(14-12-27)16-19-7-8-22-23(15-19)34-17-33-22/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,26,31)
PubChem CID10742816
ChEMBLCHEMBL328641
IUPHARN/A
BindingDB50079303
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
588125-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388

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