Drug General Information
Drug ID
DX4GAU
Drug Name
1-(4-{4-[4-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidin-1-yl)butoxy]phenyl}but-3-yn-1-yl)-1-hydroxyurea
Synonyms
CHEMBL360202
Indication Discovery agent Investigative [1587926]
Formula
C34H37ClN4O3
Canonical SMILES
NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCC(=C3c4ccc(Cl)cc4CCc5cccnc35)CC2)cc1
InChI
InChI=1S/C34H37ClN4O3/c35-29-12-15-31-28(24-29)11-10-27-7-5-18-37-33(27)32(31)26-16-21-38(22-17-26)19-3-4-23-42-30-13-8-25(9-14-30)6-1-2-20-39(41)34(36)40/h5,7-9,12-15,18,24,41H,2-4,10-11,16-17,19-23H2,(H2,36,40)
InChIKey
GUUFVYCRQBZPLO-UHFFFAOYSA-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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