Drug Information

Drug General Information
Drug ID
DX9DGX
Drug Name
ML-3000
Synonyms
CHEMBL300982
Indication Discovery agent Investigative [1587926]
Formula
C23H22ClNO2
Canonical SMILES
CC1(C)Cc2c(c3ccccc3)c(c(CC(=O)O)n2C1)c4ccc(Cl)cc4
InChI
InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
InChIKey
UAWXGRJVZSAUSZ-UHFFFAOYSA-N
Target and Pathway
Target(s) Prostaglandin G/H synthase 2 Target Info [1587926]
Arachidonate 5-lipoxygenase Target Info [1587926]
BioCyc Pathway Aspirin-triggered lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
C20 prostanoid biosynthesis
Aspirin triggered resolvin E biosynthesisPWY66-393:Aspirin-triggered lipoxin biosynthesis
Resolvin D biosynthesis
Leukotriene biosynthesis
Lipoxin biosynthesis
Aspirin triggered resolvin E biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
NF-kappa B signaling pathway
VEGF signaling pathway
TNF signaling pathway
Retrograde endocannabinoid signaling
Serotonergic synapse
Ovarian steroidogenesis
Oxytocin signaling pathway
Regulation of lipolysis in adipocytes
Leishmaniasis
Pathways in cancer
Chemical carcinogenesis
MicroRNAs in cancer
Small cell lung cancerhsa00590:Arachidonic acid metabolism
Toxoplasmosis
NetPath Pathway IL1 Signaling Pathway
TSH Signaling Pathway
IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
IL5 Signaling PathwayNetPath_16:IL4 Signaling Pathway
PANTHER Pathway Endothelin signaling pathway
Inflammation mediated by chemokine and cytokine signaling pathway
Toll receptor signaling pathway
CCKR signaling map ST
Pathway Interaction Database Calcineurin-regulated NFAT-dependent transcription in lymphocytes
S1P1 pathway
C-MYB transcription factor network
Signaling mediated by p38-alpha and p38-beta
Calcium signaling in the CD4+ TCR pathway
PathWhiz Pathway Arachidonic Acid MetabolismPW000044:Arachidonic Acid Metabolism
WikiPathways Prostaglandin Synthesis and Regulation
Arachidonic acid metabolism
Aryl Hydrocarbon Receptor
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Spinal Cord Injury
Integrated Pancreatic Cancer Pathway
Eicosanoid Synthesis
Selenium Micronutrient NetworkWP2877:Vitamin D Receptor Pathway
Selenium Micronutrient Network
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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