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Ligand

NameCHEMBL347909
Molecular formulaC31H38FN5O5
IUPAC nameN-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-hydroxybenzamide
Molecular weight579.673
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50139333
N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-2-(4-hydroxy-phenyl)-acetamide
Inchi KeyBAOSTAGMWRQRGC-OAQYLSRUSA-N
Inchi IDInChI=1S/C31H38FN5O5/c1-21(33-30(39)23-7-9-24(38)10-8-23)31(40)37-16-14-36(15-17-37)13-4-18-41-25-11-12-26(27(32)20-25)29-34-28(42-35-29)19-22-5-2-3-6-22/h7-12,20-22,38H,2-6,13-19H2,1H3,(H,33,39)/t21-/m1/s1
PubChem CID44374137
ChEMBLCHEMBL347909
IUPHARN/A
BindingDB50139333
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19044Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
19045Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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