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Ligand

NameCHEMBL158056
Molecular formulaC27H34FN5O5
IUPAC nameN-[(2R)-1-[4-[3-[3-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
Molecular weight527.597
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50139332
Furan-2-carboxylic acid [(R)-2-(4-{3-[3-fluoro-4-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propyl}-[1,4]diazepan-1-yl)-1-methyl-2-oxo-ethyl]-amide
Inchi KeyAKFRORBIZCPZBM-LJQANCHMSA-N
Inchi IDInChI=1S/C27H34FN5O5/c1-18(2)26-30-24(31-38-26)21-9-8-20(17-22(21)28)36-16-6-11-32-10-5-12-33(14-13-32)27(35)19(3)29-25(34)23-7-4-15-37-23/h4,7-9,15,17-19H,5-6,10-14,16H2,1-3H3,(H,29,34)/t19-/m1/s1
PubChem CID44373858
ChEMBLCHEMBL158056
IUPHARN/A
BindingDB50139332
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7497Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
7498Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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