Drug General Information
Drug ID
DXF0ND
Drug Name
[4-((2S,5S)-5-{4-[(R)-(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-ylmethyl}-tetrahydro-furan-2-yl)-but-3-ynyl]-N-hydroxyurea
Synonyms
CHEMBL305662
Indication Discovery agent Investigative [1587926]
Formula
C27H33ClN4O3
Canonical SMILES
NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](CN2CCN(CC2)[C@H](c3ccccc3)c4ccc(Cl)cc4)O1
InChI
InChI=1S/C27H33ClN4O3/c28-23-11-9-22(10-12-23)26(21-6-2-1-3-7-21)31-18-16-30(17-19-31)20-25-14-13-24(35-25)8-4-5-15-32(34)27(29)33/h1-3,6-7,9-12,24-26,34H,5,13-20H2,(H2,29,33)/t24-,25+,26-/m1/s1
InChIKey
ZBUWQTCXTJMDCD-UODIDJSMSA-N
Target and Pathway
Target(s) Arachidonate 5-lipoxygenase Target Info [1587926]
Histamine H1 receptor Target Info [1587926]
BioCyc Pathway Aspirin-triggered lipoxin biosynthesis
Resolvin D biosynthesis
Leukotriene biosynthesis
Lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
Aspirin triggered resolvin E biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Serotonergic synapse
Ovarian steroidogenesis
Toxoplasmosishsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interaction
Inflammatory mediator regulation of TRP channels
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Histamine H1 receptor mediated signaling pathway
PathWhiz Pathway Arachidonic Acid Metabolism
Reactome Histamine receptors
G alpha (q) signalling events
WikiPathways Vitamin D Receptor Pathway
Arachidonic acid metabolism
Eicosanoid Synthesis
Selenium Micronutrient NetworkWP58:Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
IL-4 Signaling Pathway
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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