Drug General Information
Drug ID
DXM5EO
Drug Name
[3-(5-{4-[(R)-(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-ylmethyl}-furan-2-yl)-1-methyl-prop-2-ynyl]-N-hydroxyurea
Synonyms
CHEMBL312082
Indication Discovery agent Investigative [1587926]
Formula
C27H29ClN4O3
Canonical SMILES
CC(C#Cc1oc(CN2CCN(CC2)[C@H](c3ccccc3)c4ccc(Cl)cc4)cc1)N(O)C(=O)N
InChI
InChI=1S/C27H29ClN4O3/c1-20(32(34)27(29)33)7-12-24-13-14-25(35-24)19-30-15-17-31(18-16-30)26(21-5-3-2-4-6-21)22-8-10-23(28)11-9-22/h2-6,8-11,13-14,20,26,34H,15-19H2,1H3,(H2,29,33)/t20?,26-/m1/s1
InChIKey
FJXRDARXFNFHEP-NBXNUCLWSA-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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