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Ligand

NameCHEMBL346711
Molecular formulaC31H37ClFN5O4
IUPAC name4-chloro-N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
Molecular weight598.116
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50139317
2-(4-Chloro-phenyl)-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]-acetamide
Inchi KeyALNCEGZMYYLYMF-OAQYLSRUSA-N
Inchi IDInChI=1S/C31H37ClFN5O4/c1-21(34-30(39)23-7-9-24(32)10-8-23)31(40)38-16-14-37(15-17-38)13-4-18-41-25-11-12-26(27(33)20-25)29-35-28(42-36-29)19-22-5-2-3-6-22/h7-12,20-22H,2-6,13-19H2,1H3,(H,34,39)/t21-/m1/s1
PubChem CID44374106
ChEMBLCHEMBL346711
IUPHARN/A
BindingDB50139317
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
8418Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
8419Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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