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Ligand

NameCHEMBL3094128
Molecular formulaC27H35N3O4
IUPAC nameN-[(3S)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
Molecular weight465.594
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50443790
Inchi KeyAVVIXBQVVAAVHK-QHCPKHFHSA-N
Inchi IDInChI=1S/C27H35N3O4/c31-27(22-7-10-25-26(17-22)34-20-33-25)28-23-11-15-30(19-23)18-21-5-8-24(9-6-21)32-16-4-14-29-12-2-1-3-13-29/h5-10,17,23H,1-4,11-16,18-20H2,(H,28,31)/t23-/m0/s1
PubChem CID76317221
ChEMBLCHEMBL3094128
IUPHARN/A
BindingDB50443790
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15689Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
15690Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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